SCHEMBL6459876

SCHEMBL6459876

COc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H](Nc3nc(C)cc(N(C)C)n3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.58
KCNH2 Q12809 1/20 0.58
AURKB Q96GD4 1/20 0.58
MCHR1 Q99705 12/20 0.57
ADRA2A P08913 3/20 0.49
HRH1 P35367 3/20 0.49
HTR2B P41595 2/20 0.49
ADRA1A P35348 2/20 0.49
ACACB O00763 3/20 0.48
POLB P06746 1/20 0.44
ROCK2 O75116 1/20 0.43
PRKG1 Q13976 1/20 0.43

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
SCHEMBL6459885 1.00 CNR1 (0.58) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6874474 0.91 MCHR1 (0.54) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6874479 0.91 MCHR1 (0.54) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6463603 0.90 MCHR1 (0.64) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6458185 0.90 MCHR1 (0.64) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6463607 0.90 MCHR1 (0.64) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6831558 0.90 MCHR1 (0.64) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6458172 0.90 MCHR1 (0.64) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6458024 0.89 MCHR1 (0.63) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6458407 0.89 MCHR1 (0.63) CNR1KCNH2AURKBMCHR1ADRA2A

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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 CNR1 77/4885KCNH2 1870/4885AURKB 1481/4885

“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.