SCHEMBL6463929

SCHEMBL6463929

CN(C)c1nc(NC2CCC(NC(=S)Nc3ccc(Br)cc3C(F)(F)F)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.41
ADRA2A P08913 10/20 0.41
NPY5R Q15761 4/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL6463916 1.00 MCHR1 (0.41) MCHR1ADRA2ANPY5RALDH1A1LMNA
SCHEMBL6868412 0.90 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6868409 0.90 MCHR1 (0.44) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6460846 0.90 MEN1 (0.40) MCHR1ADRA2ANPY5RALDH1A1ADRA1A
SCHEMBL6460838 0.90 MEN1 (0.40) MCHR1ADRA2ANPY5RALDH1A1ADRA1A
SCHEMBL6878772 0.89 MCHR1 (0.40) MCHR1ADRA2ANPY5RALDH1A1LMNA
SCHEMBL6878777 0.89 MCHR1 (0.40) MCHR1ADRA2ANPY5RALDH1A1LMNA
SCHEMBL6458264 0.89 MCHR1 (0.41) MCHR1ADRA2AALDH1A1ADRA1AHRH1
SCHEMBL6462306 0.89 MCHR1 (0.41) MCHR1ADRA2AALDH1A1ADRA1AHRH1
SCHEMBL6880790 0.88 PKM (0.45) MCHR1ADRA2AALDH1A1LMNA

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 MCHR1 2/4885ADRA2A 117/4885NPY5R 8/4885

“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.