SCHEMBL6458277

SCHEMBL6458277

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)Nc3c(Br)cc(Br)cc3Br)CC2)nc2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.39
ADRA2A P08913 13/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HRH1 P35367 5/20 0.35
HTR2B P41595 5/20 0.35
ADRA1A P35348 3/20 0.35
ALOX12 P18054 1/20 0.34
HTR1A P08908 1/20 0.33
NPY5R Q15761 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6458283 1.00 MCHR1 (0.39) MCHR1ADRA2ARAB9ANPC1HRH1
SCHEMBL6457885 0.94 MCHR1 (0.38) MCHR1ADRA2ARAB9ANPC1HRH1
SCHEMBL6457895 0.94 MCHR1 (0.38) MCHR1ADRA2ARAB9ANPC1HRH1
SCHEMBL6457338 0.92 MCHR1 (0.39) MCHR1ADRA2ARAB9ANPC1HRH1
SCHEMBL6458859 0.92 MCHR1 (0.39) MCHR1ADRA2ARAB9ANPC1HRH1
SCHEMBL6462108 0.89 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462113 0.89 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456954 0.86 MCHR1 (0.40) MCHR1ADRA2ARAB9ANPC1HRH1
SCHEMBL6456946 0.86 MCHR1 (0.40) MCHR1ADRA2ARAB9ANPC1HRH1
SCHEMBL6872424 0.86 MCHR1 (0.41) MCHR1ADRA2ARAB9ANPC1HRH1

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
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 2/4885ADRA2A 117/4885RAB9A 1648/4885

“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.