SCHEMBL6463052

SCHEMBL6463052

CN(C)c1nc(NC2CCC(NC(=O)Nc3ccc(Br)cc3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
MCHR1 Q99705 12/20 0.43
ADRA2A P08913 9/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.41
HRH1 P35367 5/20 0.41
HTR2B P41595 5/20 0.41
KMT2A Q03164 1/20 0.38
ADRA1A P35348 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL6459674 1.00 HTT (0.58) HTTMCHR1ADRA2ARAB9AMAPK1
SCHEMBL6464523 0.91 MCHR1 (0.45) HTTMCHR1ADRA2AHRH1HTR2B
SCHEMBL6462309 0.91 MCHR1 (0.45) HTTMCHR1ADRA2AHRH1HTR2B
SCHEMBL6458714 0.91 MCHR1 (0.45) HTTMCHR1ADRA2AHRH1HTR2B
SCHEMBL6874204 0.91 RAB9A (0.54) HTTMCHR1ADRA2ARAB9AMAPK1
SCHEMBL6464517 0.91 MCHR1 (0.45) HTTMCHR1ADRA2AHRH1HTR2B
SCHEMBL6874197 0.91 RAB9A (0.54) HTTMCHR1ADRA2ARAB9AMAPK1
SCHEMBL6462906 0.90 ALDH1A1 (0.45) HTTMCHR1ADRA2ARAB9AMAPK1
SCHEMBL6458369 0.90 ALDH1A1 (0.45) HTTMCHR1ADRA2ARAB9AMAPK1
SCHEMBL6875350 0.90 MCHR1 (0.43) HTTMCHR1ADRA2ARAB9AHRH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTT 500/4885MCHR1 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.