SCHEMBL6459494

SCHEMBL6459494

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNC(=O)C(Cc3ccccc3)c3ccccc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.42
DRD2 P14416 1/20 0.41
NAPEPLD Q6IQ20 2/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
F2 P00734 1/20 0.39
ADRA2A P08913 2/20 0.39
ADRA1A P35348 2/20 0.39
HTR2B P41595 2/20 0.39
HRH1 P35367 1/20 0.39
HTR1A P08908 1/20 0.37
EPHX2 P34913 1/20 0.36
NPY5R Q15761 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6459497 1.00 MCHR1 (0.42) MCHR1DRD2NAPEPLDMAPK8MAPK9
SCHEMBL6467584 0.91 MCHR1 (0.43) MCHR1DRD2ADRA2AADRA1AHTR2B
SCHEMBL6467590 0.91 MCHR1 (0.43) MCHR1DRD2ADRA2AADRA1AHTR2B
SCHEMBL6877430 0.89 MAPK8 (0.41) MCHR1DRD2MAPK8MAPK9MAPK10
SCHEMBL6877427 0.89 MAPK8 (0.41) MCHR1DRD2MAPK8MAPK9MAPK10
SCHEMBL6455272 0.88 MCHR1 (0.44) MCHR1DRD2NAPEPLDMAPK8MAPK9
SCHEMBL6455281 0.88 MCHR1 (0.44) MCHR1DRD2NAPEPLDMAPK8MAPK9
SCHEMBL6873825 0.83 MCHR1 (0.45) MCHR1DRD2NAPEPLDMAPK8MAPK9
SCHEMBL6873830 0.83 MCHR1 (0.45) MCHR1DRD2NAPEPLDMAPK8MAPK9
SCHEMBL6462518 0.83 PTGIR (0.49) MCHR1DRD2NAPEPLDMAPK8MAPK9

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 MCHR1 2/4885DRD2 41/4885NAPEPLD 2751/4885

“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.