SCHEMBL6458463

SCHEMBL6458463

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNC(=O)Nc3c(Cl)cccc3Cl)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.47
KDR P35968 1/20 0.43
DGAT1 O75907 2/20 0.42
MAPK14 Q16539 3/20 0.41
ADRA2A P08913 4/20 0.40
HTR2B P41595 4/20 0.40
ADRA1A P35348 3/20 0.40
HRH1 P35367 3/20 0.40
POLB P06746 1/20 0.40
HTR1A P08908 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPY5R Q15761 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
SCHEMBL6458476 1.00 MCHR1 (0.47) MCHR1KDRDGAT1MAPK14ADRA2A
SCHEMBL6457480 0.95 MCHR1 (0.47) MCHR1KDRDGAT1MAPK14ADRA2A
SCHEMBL6457490 0.95 MCHR1 (0.47) MCHR1KDRDGAT1MAPK14ADRA2A
SCHEMBL6458382 0.92 MCHR1 (0.45) MCHR1KDRDGAT1MAPK14ADRA2A
SCHEMBL6458374 0.92 MCHR1 (0.45) MCHR1KDRDGAT1MAPK14ADRA2A
SCHEMBL6455461 0.92 MCHR1 (0.53) MCHR1KDRMAPK14ADRA2AHTR2B
SCHEMBL6455469 0.92 MCHR1 (0.53) MCHR1KDRMAPK14ADRA2AHTR2B
SCHEMBL6460506 0.90 MCHR1 (0.45) MCHR1MAPK14ADRA2AHTR2BADRA1A
SCHEMBL6460500 0.90 MCHR1 (0.45) MCHR1MAPK14ADRA2AHTR2BADRA1A
SCHEMBL6875689 0.90 MAPK14 (0.50) MCHR1MAPK14ADRA2AHTR2BADRA1A

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
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
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 2/4885KDR 1688/4885DGAT1 3394/4885

“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.