SCHEMBL6458172

SCHEMBL6458172

COc1cccc([C@H](C)NC(=O)[C@H]2CC[C@@H](Nc3nc(C)cc(N(C)C)n3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.64
POLB P06746 1/20 0.58
ROCK2 O75116 4/20 0.56
PRKG1 Q13976 3/20 0.56
CNR1 P21554 2/20 0.55
KCNH2 Q12809 1/20 0.55
AURKB Q96GD4 1/20 0.55
ADRA2A P08913 3/20 0.47
HRH1 P35367 3/20 0.47
HTR2B P41595 2/20 0.47
ADRA1A P35348 2/20 0.47
ACACB O00763 1/20 0.42

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
SCHEMBL6458185 1.00 MCHR1 (0.64) MCHR1POLBROCK2PRKG1CNR1
SCHEMBL6831558 1.00 MCHR1 (0.64) MCHR1POLBROCK2PRKG1CNR1
SCHEMBL6463603 1.00 MCHR1 (0.64) MCHR1POLBROCK2PRKG1CNR1
SCHEMBL6463607 1.00 MCHR1 (0.64) MCHR1POLBROCK2PRKG1CNR1
SCHEMBL6459885 0.90 CNR1 (0.58) MCHR1POLBROCK2PRKG1CNR1
SCHEMBL6459876 0.90 CNR1 (0.58) MCHR1POLBROCK2PRKG1CNR1
SCHEMBL6874474 0.84 MCHR1 (0.54) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6874479 0.84 MCHR1 (0.54) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6457584 0.83 POLB (0.56) MCHR1POLBROCK2PRKG1ADRA2A
SCHEMBL6457598 0.83 POLB (0.56) MCHR1POLBROCK2PRKG1ADRA2A

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-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
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 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 MCHR1 2/4885POLB 3369/4885ROCK2 1435/4885

“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.