SCHEMBL6458796

SCHEMBL6458796

COc1cc(OC)cc(C(=O)N[C@H]2CC[C@@H](Nc3nc(C)cc(N(C)C)n3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 1.00
KCNH2 Q12809 1/20 1.00
AURKB Q96GD4 1/20 1.00
MCHR1 Q99705 17/20 0.81
ADRA2A P08913 6/20 0.70
HRH1 P35367 4/20 0.70
ADRA1A P35348 2/20 0.70
HTR2B P41595 3/20 0.69
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6458806 1.00 CNR1 (1.00) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6878436 0.91 CNR1 (0.83) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6465510 0.90 MCHR1 (1.00) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6465507 0.90 MCHR1 (1.00) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6463044 0.89 CNR1 (0.80) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6463036 0.89 CNR1 (0.80) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6460368 0.88 CNR1 (0.78) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6459677 0.88 CNR1 (0.78) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6868328 0.87 CNR1 (0.77) CNR1KCNH2AURKBMCHR1ADRA2A
SCHEMBL6866987 0.87 CNR1 (0.77) 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 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 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.