SCHEMBL16823947

SCHEMBL16823947

O=[N+]([O-])c1ccc2c(c1)NC[C@H](CO)O2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.44
ADRA2A P08913 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20786046 1.00 PNMT (0.44) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL3948500 1.00 PNMT (0.44) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL6860121 0.86 AKR1B1 (0.43) MEN1KMT2AMAPTAKR1B1ALDH1A1
SCHEMBL16823624 0.82 USP2 (0.41) MEN1KMT2AMAPTAKR1B1ALDH1A1
SCHEMBL7711231 0.82 USP2 (0.41) MEN1KMT2AMAPTAKR1B1ALDH1A1
SCHEMBL5582527 0.81 ALDH1A1 (0.48) ADRA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL11985044 0.79 AKR1B1 (0.45) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL18359151 0.79 AKR1B1 (0.45) PNMTADRA2AMEN1KMT2AMAPT
SCHEMBL11549082 0.78 KMT2A (0.44) MEN1KMT2AMAPTAKR1B1NPC1
SCHEMBL28603192 0.78 MEN1 (0.36) MEN1KMT2AMAPTAKR1B1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2020-08-18 US disclosed
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-10-15 US disclosed
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-10-15 US disclosed
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2019-09-26 US disclosed
US-10364237-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-07-30 US disclosed
US-10364237-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-07-30 US disclosed
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2019-03-05 US disclosed
US-20180265502-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2018-09-20 US disclosed
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2018-07-26 US disclosed
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2018-07-26 US disclosed
US-20170007686-A1 Adoptive Cellular Therapy Using an Agonist of Retinoic Acid Receptor-Related Orphan Receptor Gamma & Related Therapeutic Methods WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-01-12 US disclosed
EP-3110429-A1 ADOPTIVE CELLULAR THERAPY USING AN AGONIST OF RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR GAMMA & RELATED THERAPEUTIC METHODS Lycera Corporation (US) 2017-01-04 EP disclosed
US-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-27 US disclosed
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
US-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2016-10-20 US disclosed
WO-2015131035-A1 ADOPTIVE CELLULAR THERAPY USING AN AGONIST OF RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR GAMMA & RELATED THERAPEUTIC METHODS LYCERA CORPORATION (US) 2015-09-03 WO disclosed
WO-2015131035-A1 ADOPTIVE CELLULAR THERAPY USING AN AGONIST OF RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR GAMMA & RELATED THERAPEUTIC METHODS LYCERA CORPORATION (US) 2015-09-03 WO disclosed
WO-2015095788-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095792-A1 CARBAMATE BENZOXAXINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORGAMMA ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095795-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE, AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160304505-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC PNMT 4410/4885ADRA2A 370/4885MEN1 3885/4885
US-20160311787-A1 CARBAMATE BENZOXAZINE PROPIONIC ACIDS AND ACID DERIVATIVES FOR MODULATION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORA, RORB, RORC PNMT 4845/4885ADRA2A 420/4885MEN1 2347/4885
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC PNMT 3568/4885ADRA2A 132/4885MEN1 2840/4885
US-20180265502-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC PNMT 3586/4885ADRA2A 185/4885MEN1 1619/4885
US-10364237-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB PNMT 4011/4885ADRA2A 315/4885MEN1 3007/4885
US-20170007686-A1 Adoptive Cellular Therapy Using an Agonist of Retinoic Acid Receptor-Related Orphan Receptor Gamma & Related Therapeutic Methods RORC, RORA, RORB PNMT 4551/4885ADRA2A 137/4885MEN1 4770/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC PNMT 3568/4885ADRA2A 132/4885MEN1 2840/4885
US-10442798-B2 Tetrahydroquinoline sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORA, RORC, RORB PNMT 4011/4885ADRA2A 315/4885MEN1 3007/4885
US-20160304476-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC PNMT 3568/4885ADRA2A 132/4885MEN1 2840/4885
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC PNMT 3586/4885ADRA2A 185/4885MEN1 1619/4885
US-10221146-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC PNMT 3572/4885ADRA2A 126/4885MEN1 2740/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.