SCHEMBL6463828

SCHEMBL6463828

CN(C)c1nc(NC2CCC(NC(=O)COc3cccc(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.49
ADRA2A P08913 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH1 P35367 2/20 0.43
HTR2B P41595 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
ATF4 P18848 1/20 0.43
ADRA1A P35348 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6458569 1.00 MCHR1 (0.49) MCHR1ADRA2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6458507 0.90 ATF4 (0.56) MCHR1ADRA2ASMN1; SMN2HRH1HTR2B
SCHEMBL6458511 0.90 ATF4 (0.56) MCHR1ADRA2ASMN1; SMN2HRH1HTR2B
SCHEMBL6464386 0.89 SMN1; SMN2 (0.47) MCHR1ADRA2ASMN1; SMN2HPGDHTT
SCHEMBL6464369 0.89 SMN1; SMN2 (0.47) MCHR1ADRA2ASMN1; SMN2HPGDHTT
SCHEMBL6457458 0.85 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867870 0.85 MCHR1 (0.43) MCHR1ADRA2ASMN1; SMN2HRH1HTR2B
SCHEMBL6457426 0.85 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867864 0.85 MCHR1 (0.43) MCHR1ADRA2ASMN1; SMN2HRH1HTR2B
SCHEMBL13793458 0.84 MCHR1 (0.69) MCHR1ADRA2AHRH1HTR2BHPGD

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
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
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 117/4885SMN1; SMN2 1477/4885

“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.