SCHEMBL6460703

SCHEMBL6460703

CN(C)c1nc(NC2CCC(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)nc2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.56
KLK7 P49862 1/20 0.55
ADRA2A P08913 13/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
HTR1A P08908 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
NPY5R Q15761 1/20 0.52
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL6460698 1.00 MCHR1 (0.56) MCHR1KLK7ADRA2AKMT2AMEN1
SCHEMBL13792873 0.89 MCHR1 (0.71) MCHR1KLK7ADRA2AKMT2AMEN1
SCHEMBL6878982 0.86 MCHR1 (0.55) MCHR1ADRA2AKMT2AMEN1HTR1A
SCHEMBL6878979 0.86 MCHR1 (0.55) MCHR1ADRA2AKMT2AMEN1HTR1A
SCHEMBL6874030 0.83 MCHR1 (0.58) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6874035 0.83 MCHR1 (0.58) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6457758 0.82 MCHR1 (0.60) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6457764 0.82 MCHR1 (0.60) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6876818 0.81 MCHR1 (0.52) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6876821 0.81 MCHR1 (0.52) MCHR1ADRA2AHTR1AADRA1AHRH1

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 2/4885KLK7 4495/4885ADRA2A 117/4885

“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.