SCHEMBL6464449

SCHEMBL6464449

Cc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
EPHX2 P34913 2/20 0.42
MCHR1 Q99705 15/20 0.41
ADRA2A P08913 11/20 0.41
HRH1 P35367 4/20 0.41
HTR2B P41595 4/20 0.41
ADRA1A P35348 2/20 0.41

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
SCHEMBL6464453 1.00 EPHX1 (0.44) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6463297 0.95 EPHX2 (0.46) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6463295 0.95 EPHX2 (0.46) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6879288 0.92 EPHX1 (0.53) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6879285 0.92 EPHX1 (0.53) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6462402 0.91 EPHX2 (0.40) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6462404 0.91 EPHX2 (0.40) EPHX1EPHX2MCHR1ADRA2AHRH1
SCHEMBL6880771 0.90 ALOX12 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6880766 0.90 ALOX12 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457034 0.89 MCHR1 (0.42) EPHX1EPHX2MCHR1ADRA2AHRH1

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 EPHX1 504/4885EPHX2 1053/4885MCHR1 2/4885

“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.