SCHEMBL20870352

SCHEMBL20870352

C[C@H]1CCc2cc(C(=O)C(F)(F)F)ccc2N1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.45
MTNR1A P48039 7/20 0.43
BRD4 O60885 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
MTNR1B P49286 1/20 0.40

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
SCHEMBL22262272 1.00 ACHE (0.45) ACHEMTNR1ABRD4CHRM2CHRM4
SCHEMBL16585773 0.87 PDK1 (0.50) ACHEMTNR1ABRD4CHRM2CHRM4
SCHEMBL22262386 0.79 MTNR1A (0.39) ACHEMTNR1ABRD4CHRM2CHRM4
SCHEMBL22262387 0.79 MTNR1A (0.39) ACHEMTNR1ABRD4CHRM2CHRM4
SCHEMBL29660073 0.79 MTNR1A (0.39) ACHEMTNR1ABRD4CHRM2CHRM4
SCHEMBL22262517 0.75 MTNR1A (0.56) MTNR1ABRD4CHRM2CHRM4CHRM1
SCHEMBL29659985 0.75 MTNR1A (0.56) MTNR1ABRD4CHRM2CHRM4CHRM1
SCHEMBL22262519 0.75 MTNR1A (0.56) MTNR1ABRD4CHRM2CHRM4CHRM1
SCHEMBL9597979 0.74 MTNR1A (0.42) MTNR1ABRD4CHRM2CHRM4CHRM1
SCHEMBL10941891 0.70 MTNR1A (0.43) MTNR1ABRD4CHRM2CHRM4CHRM1

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 6 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
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 ACHE 4564/4885MTNR1A 342/4885BRD4 253/4885
US-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor RORC, RORA, RORB ACHE 4564/4885MTNR1A 342/4885BRD4 253/4885

“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.