SCHEMBL15569264

SCHEMBL15569264

O=C(O)c1c(Cl)cccc1C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
TAS1R2 Q8TE23 3/20 0.47
RORC P51449 13/20 0.45
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
PBRM1 Q86U86 1/20 0.41

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
SCHEMBL15570366 0.97 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2RORCALDH1A1
SCHEMBL15570286 0.95 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2RORCNPC1
SCHEMBL15569786 0.93 RORC (0.46) TAS1R3TAS1R1TAS1R2RORCALDH1A1
SCHEMBL17323527 0.87 KMO (0.44) TAS1R3TAS1R1TAS1R2RORCGLA
SCHEMBL15570712 0.86 ALDH1A1 (0.57) TAS1R3TAS1R1TAS1R2RORCALDH1A1
SCHEMBL20275235 0.85 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2RORCALDH1A1
SCHEMBL17323529 0.83 KMO (0.49) GLA
SCHEMBL15570771 0.83 ALDH1A1 (0.57) TAS1R3TAS1R1TAS1R2RORCALDH1A1
SCHEMBL17323545 0.82 KMO (0.51) ALDH1A1GLAHPGD
SCHEMBL17323537 0.82 KMO (0.51) ALDH1A1GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-3368539-B1 SUBSTITUTED INDAZOLE COMPOUNDS AS ROR GAMMA T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-3368539-B1 SUBSTITUTED INDAZOLE COMPOUNDS AS ROR GAMMA T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-3368516-B1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
EP-3368516-B1 SUBSTITUTED BICYCLIC PYRAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-20190276438-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2019-09-12 US disclosed
US-20190276438-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2019-09-12 US disclosed
US-20150218096-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
US-20150218096-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
US-20150218169-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
US-20150218169-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
US-20150218169-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
CN-104822657-A 3-aminocycloalkyl compounds as RORgammat inhibitors and uses thereof MERCK SHARP & DOHME 2015-08-05 CN disclosed
EP-2884981-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
WO-2014028589-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014028600-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014028600-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 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 (4 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-20190276438-A1 SUBSTITUTED INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA TAS1R3 3693/4885TAS1R1 3540/4885TAS1R2 3929/4885
US-20150218169-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA TAS1R3 4007/4885TAS1R1 4127/4885TAS1R2 4388/4885
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA TAS1R3 3693/4885TAS1R1 3540/4885TAS1R2 3929/4885
US-20150218096-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC TAS1R3 4722/4885TAS1R1 4534/4885TAS1R2 4705/4885

“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.