SCHEMBL16634611

SCHEMBL16634611

O=[C]c1c(Cl)cccc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
HTR1A P08908 3/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
GAA P10253 1/20 0.34
OPRL1 P41146 3/20 0.33
PDK2 Q15119 2/20 0.33
CEL P19835 2/20 0.33
PDK4 Q16654 1/20 0.33
IDO1 P14902 1/20 0.33
HTR6 P50406 1/20 0.33
ADRA1A P35348 1/20 0.33
GRM2 Q14416 1/20 0.32

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
SCHEMBL2050408 0.77 OPRL1 (0.35) GRIA1CACNG8TP53RECQLTAS1R3
SCHEMBL96213 0.76 CYP1A2 (0.43)
SCHEMBL16797106 0.74 TP53 (0.46) GRIA1CACNG8TP53RECQLTAS1R3
SCHEMBL9232062 0.73 TP53 (0.50) GRIA1CACNG8TP53RECQLHTR1A
SCHEMBL1273995 0.73 HTR2A (0.48) GRIA1CACNG8TP53RECQLHTR1A
SCHEMBL1897406 0.72 TP53 (0.57) TP53RECQLOPRL1ADRA1AGRM2
SCHEMBL3785910 0.71 SMN1; SMN2 (0.41) GRIA1CACNG8TP53RECQLOPRL1
Charcoal, Activated SCHEMBL5897477 0.70 TP53 (0.55) TP53RECQLOPRL1ADRA1AGRM2
SCHEMBL2047547 0.69 TAS1R3 (0.44) GRIA1CACNG8TP53RECQLTAS1R3
SCHEMBL21388492 0.69 HTR2C (0.48) GRIA1CACNG8TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080090-B1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-01-31 EP claimed
US-9682977-B2 Bicyclic heteroaryl indole analogues useful as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-06-20 US claimed
US-20160326163-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-11-10 US claimed
EP-3080090-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2016-10-19 EP claimed
CN-105980364-A Bicyclic heteroaryl indole analogs useful as ROR γ modulators 格兰马克药品股份有限公司 2016-09-28 CN claimed
WO-2015087234-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-06-18 WO claimed
EP-3080090-B1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-01-31 EP disclosed
US-9682977-B2 Bicyclic heteroaryl indole analogues useful as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-06-20 US disclosed
US-20160326163-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-11-10 US disclosed
EP-3080090-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2016-10-19 EP disclosed
CN-105980364-A Bicyclic heteroaryl indole analogs useful as ROR γ modulators 格兰马克药品股份有限公司 2016-09-28 CN disclosed
WO-2015087234-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-06-18 WO disclosed
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 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 (1 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-20160326163-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS RORA, RORB, RORC GRIA1 197/4885CACNG8 581/4885TP53 2583/4885

“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.