SCHEMBL16664444

SCHEMBL16664444

CNC(=O)[C@@H](C)[C@@H]1C[C@H]2CCC[C@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
EPHX2 P34913 2/20 0.33
MMP8 P22894 1/20 0.33
ADAM17 P78536 1/20 0.33
CHRM1 P11229 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL19648343 1.00 MMP1 (0.35) MMP1MMP9MMP14MMP2MMP3
SCHEMBL18306502 1.00 MMP1 (0.35) MMP1MMP9MMP14MMP2MMP3
SCHEMBL17055731 1.00 MMP1 (0.35) MMP1MMP9MMP14MMP2MMP3
SCHEMBL19541987 0.85 EPHX2 (0.41) MMP1MMP9MMP14MMP2EPHX2
SCHEMBL23011460 0.84 MMP1 (0.42) MMP1MMP9MMP14MMP2MMP3
SCHEMBL18885414 0.80 EPHX1 (0.35) EPHX2ALDH1A1
SCHEMBL18885416 0.80 EPHX1 (0.35) EPHX2ALDH1A1
SCHEMBL6392066 0.79 MMP1 (0.42) MMP1MMP9MMP14MMP2MMP3
SCHEMBL31547122 0.79 MMP1 (0.42) MMP1MMP9MMP14MMP2MMP3
SCHEMBL19009035 0.79

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2019-08-13 US disclosed
EP-2846804-B1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-29 EP disclosed
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2017-11-02 US disclosed
EP-2846794-B1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME (US) 2017-11-01 EP disclosed
US-9802958-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORy and the treatment of disease LYCERA CORPORATION (US) 2017-10-31 US disclosed
US-9657033-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-23 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
US-20160318951-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-11-03 US disclosed
US-9394315-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2016-07-19 US disclosed
US-20150133437-A1 Tetrahydro[1,8]naphthyridine Sulfonamide and Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-05-14 US disclosed
US-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-05-07 US disclosed
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2015-04-23 US 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 (7 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-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORC, RORB, RORA MMP1 4798/4885MMP9 3708/4885MMP14 3136/4885
US-20150126493-A1 BICYCLIC SULFONE COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA MMP1 3739/4885MMP9 2475/4885MMP14 2298/4885
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA MMP1 4798/4885MMP9 3708/4885MMP14 3136/4885
US-20150133437-A1 Tetrahydro[1,8]naphthyridine Sulfonamide and Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORC, RORA, RORB MMP1 4413/4885MMP9 3135/4885MMP14 2903/4885
US-20160318951-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORA, RORC, RORB MMP1 4402/4885MMP9 2290/4885MMP14 2866/4885
US-20170007686-A1 Adoptive Cellular Therapy Using an Agonist of Retinoic Acid Receptor-Related Orphan Receptor Gamma & Related Therapeutic Methods RORC, RORA, RORB MMP1 4784/4885MMP9 4320/4885MMP14 4751/4885
US-20150111877-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA MMP1 4798/4885MMP9 3708/4885MMP14 3136/4885

“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.