SCHEMBL6459895

SCHEMBL6459895

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cc(Cl)sc3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
MCHR1 Q99705 17/20 0.46
ADRA2A P08913 14/20 0.46
HRH1 P35367 7/20 0.46
HTR2B P41595 7/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRA1A P35348 4/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.41
NPY5R Q15761 1/20 0.41

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
SCHEMBL6459903 1.00 HPGD (0.46) HPGDTSHRMCHR1ADRA2AHRH1
SCHEMBL6875119 0.88 MCHR1 (0.51) HPGDTSHRMCHR1ADRA2AHRH1
SCHEMBL6875124 0.88 MCHR1 (0.51) HPGDTSHRMCHR1ADRA2AHRH1
SCHEMBL6463206 0.85 MCHR1 (0.48) HPGDTSHRMCHR1ADRA2AHRH1
SCHEMBL6463211 0.85 MCHR1 (0.48) HPGDTSHRMCHR1ADRA2AHRH1
SCHEMBL27651758 0.83 MCHR1 (0.54) HPGDTSHRMCHR1ADRA2AHRH1
SCHEMBL6878632 0.83 MCHR1 (0.44) HPGDTSHRMCHR1ADRA2AHRH1
SCHEMBL6878628 0.83 MCHR1 (0.44) HPGDTSHRMCHR1ADRA2AHRH1
SCHEMBL6456181 0.83 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BALDH1A1
SCHEMBL6456174 0.83 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BALDH1A1

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 HPGD 2310/4885TSHR 156/4885MCHR1 2/4885

“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.