SCHEMBL15569345

SCHEMBL15569345

O=C(Cl)c1c(Cl)cccc1C1CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 0.46
RORC P51449 13/20 0.42
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL15570712 0.93 ALDH1A1 (0.57) ALDH1A1TAS1R3TAS1R1TAS1R2RORC
SCHEMBL15570771 0.93 ALDH1A1 (0.57) ALDH1A1TAS1R3TAS1R1TAS1R2RORC
SCHEMBL15570620 0.91 ALDH1A1 (0.55) ALDH1A1TAS1R3TAS1R1TAS1R2RORC
SCHEMBL28020178 0.87 RORC (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2RORC
SCHEMBL15569786 0.85 RORC (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2RORC
SCHEMBL16888471 0.84 TAS1R3 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2RORC
SCHEMBL21181630 0.84 TAS1R3 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2RORC
SCHEMBL16979533 0.81 CA12 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2RORC
SCHEMBL20275229 0.80 TAS1R3 (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2RORC
SCHEMBL15565811 0.80 SLC6A3 (0.51) ALDH1A1TAS1R3TAS1R1TAS1R2RORC

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 70 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-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
EP-2884976-B1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
EP-2884976-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP 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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO 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-2014028597-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE 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 (3 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 ALDH1A1 446/4885TAS1R3 3693/4885TAS1R1 3540/4885
US-20150191434-A1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA ALDH1A1 587/4885TAS1R3 3507/4885TAS1R1 3937/4885
US-10689369-B2 Substituted indazole compounds as RORgammaT inhibitors and uses thereof RORB, RORC, RORA ALDH1A1 446/4885TAS1R3 3693/4885TAS1R1 3540/4885

“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.