SCHEMBL13437405

SCHEMBL13437405

CC1CN(C)c2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BRD4 O60885 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR7 P34969 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 3/20 0.33

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
SCHEMBL5540524 0.79 SRD5A1 (0.43) HTR2CCA1CA2KMT2AMAPT
SCHEMBL5539441 0.78 ESR1 (0.44) HTR2AOPRM1OPRD1OPRK1MEN1
SCHEMBL12363786 0.78 POLB (0.41) HTR2AHTR2CCA1CA2ALDH1A1
SCHEMBL25760418 0.78 CA12 (0.31) CA1CA2
SCHEMBL31351756 0.76 MEN1 (0.43) HTR2BHTR2AHTR2CCA1CA2
SCHEMBL8533683 0.75 SLC6A2 (0.44) HTR2BHTR2AHTR2COPRM1BRD4
SCHEMBL820623 0.75 SLC6A2 (0.41) MEN1KMT2ABRD4MAPTALDH1A1
SCHEMBL22298134 0.74 ALDH1A1 (0.37) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL27655629 0.74 OPRM1 (0.39) HTR2BHTR2AHTR2COPRM1OPRD1
SCHEMBL12363762 0.73 CHRNB2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US 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-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 HTR2B 4045/4885HTR2A 3633/4885HTR2C 3542/4885

“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.