SCHEMBL6461744

SCHEMBL6461744

COc1nc(NC2CCC(NC(=O)c3ccc(Cl)c(Cl)c3)CC2)ncc1C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.58
ADRA2A P08913 7/20 0.58
HRH1 P35367 6/20 0.58
HTR2B P41595 6/20 0.58
ADRA1A P35348 3/20 0.52
LRRK2 Q5S007 1/20 0.51
BRD4 O60885 2/20 0.46
MAPK14 Q16539 1/20 0.45
HPGDS O60760 1/20 0.45
PTK2 Q05397 1/20 0.44
RIPK2 O43353 1/20 0.44
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43

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
SCHEMBL6461733 1.00 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878285 0.89 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6878288 0.89 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873245 0.87 MCHR1 (0.57) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873248 0.87 MCHR1 (0.57) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879683 0.85 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879694 0.85 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457538 0.84 MCHR1 (0.80) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457554 0.84 MCHR1 (0.80) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL6461451 0.83 MCHR1 (0.78) MCHR1ADRA2AHRH1HTR2BADRA1A

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
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
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 117/4885HRH1 54/4885

“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.