SCHEMBL6457784

SCHEMBL6457784

CN(C)c1nc(NC2CCC(NC(=O)Nc3ccccc3OC(F)(F)F)CC2)nc2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
MCHR1 Q99705 17/20 0.48
ADRA2A P08913 14/20 0.48
NPY5R Q15761 6/20 0.42
ADRA1A P35348 2/20 0.40
HRH1 P35367 2/20 0.40
HTR2B P41595 2/20 0.40
HTR1A P08908 1/20 0.39
ANO1 Q5XXA6 1/20 0.38

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
SCHEMBL6457777 1.00 EPHX2 (0.50) EPHX2MCHR1ADRA2ANPY5RADRA1A
SCHEMBL6877161 0.90 MCHR1 (0.45) EPHX2MCHR1ADRA2ANPY5R
SCHEMBL6872406 0.88 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6872410 0.88 MCHR1 (0.42) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6867234 0.87 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6867239 0.87 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6467487 0.87 TP53 (0.47) MCHR1ADRA2A
SCHEMBL6467491 0.87 TP53 (0.47) MCHR1ADRA2A
SCHEMBL6875871 0.87 EPHX2 (0.45) EPHX2MCHR1ADRA2ANPY5RADRA1A
SCHEMBL6875875 0.87 EPHX2 (0.45) EPHX2MCHR1ADRA2ANPY5RADRA1A

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
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 EPHX2 1053/4885MCHR1 2/4885ADRA2A 117/4885

“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.