SCHEMBL20870315

SCHEMBL20870315

CCc1ccc2c(n1)OCCN2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.48
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAP4K1 Q92918 1/20 0.33
DHFR P00374 1/20 0.30
HTR3A P46098 1/20 0.30
KCNH2 Q12809 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL14476025 0.83 GRM5 (0.48) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL14358239 0.83 GRM5 (0.48) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL1825269 0.83 GRM5 (0.43) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL852827 0.77 GRM5 (0.51) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL10200739 0.74 HTR2C (0.35) GRM5
SCHEMBL22048899 0.74 GRM5 (0.51) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL382392 0.74 GRM5 (0.51) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL26457526 0.73 ALDH1A1 (0.40) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL18237835 0.73 GRM5 (0.48) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL12329716 0.72 MBOAT4 (0.46) GRM5ALDH1A1GAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-07-26 US disclosed
EP-3689860-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-08-05 EP disclosed
US-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-30 US disclosed
US-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-30 US disclosed
WO-2019063015-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS RORγ INHIBITOR 正大天晴药业集团股份有限公司 2019-04-04 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 (2 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-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR RORC, RORA, RORB GRM5 509/4885ALDH1A1 902/4885GAA 2473/4885
US-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor RORC, RORA, RORB GRM5 509/4885ALDH1A1 902/4885GAA 2473/4885

“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.