SCHEMBL6464523

SCHEMBL6464523

Cc1cc(Br)ccc1NC(=O)NC1CCC(Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.45
ADRA2A P08913 11/20 0.45
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH1 P35367 5/20 0.41
HTR2B P41595 5/20 0.41
ADRA1A P35348 3/20 0.41
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTR1A P08908 1/20 0.37
NPY5R Q15761 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
SCHEMBL6464517 1.00 MCHR1 (0.45) MCHR1ADRA2AHTTHPGDTP53
SCHEMBL6462309 0.93 MCHR1 (0.45) MCHR1ADRA2AHTTHRH1HTR2B
SCHEMBL6458714 0.93 MCHR1 (0.45) MCHR1ADRA2AHTTHRH1HTR2B
SCHEMBL6463052 0.91 HTT (0.58) MCHR1ADRA2AHTTSMN1; SMN2HRH1
SCHEMBL6875350 0.91 MCHR1 (0.43) MCHR1ADRA2AHTTPOLBHRH1
SCHEMBL6459674 0.91 HTT (0.58) MCHR1ADRA2AHTTSMN1; SMN2HRH1
SCHEMBL6875347 0.91 MCHR1 (0.43) MCHR1ADRA2AHTTPOLBHRH1
SCHEMBL6877519 0.91 MCHR1 (0.46) MCHR1ADRA2AHTTMAPTSMN1; SMN2
SCHEMBL6877515 0.91 MCHR1 (0.46) MCHR1ADRA2AHTTMAPTSMN1; SMN2
SCHEMBL6458264 0.89 MCHR1 (0.41) MCHR1ADRA2AHTTHPGDTP53

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
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 117/4885HTT 500/4885

“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.