SCHEMBL6458078

SCHEMBL6458078

CN(C)c1ccnc(NC2CCC(CNC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.47
ADRA2A P08913 3/20 0.44
ADRA1A P35348 3/20 0.44
HTR2B P41595 3/20 0.44
HTR1A P08908 1/20 0.44
HRH1 P35367 2/20 0.42
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
CNR2 P34972 4/20 0.40
PROKR1 Q8TCW9 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL6458072 1.00 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6880615 0.90 CCNC (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6880610 0.90 CCNC (0.47) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL7114626 0.88 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL7114622 0.88 MCHR1 (0.46) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6458374 0.85 MCHR1 (0.45) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6458382 0.85 MCHR1 (0.45) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6875059 0.84 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6875069 0.84 MCHR1 (0.47) MCHR1ADRA2AADRA1AHTR2BHTR1A
SCHEMBL6458079 0.83 MCHR1 (0.56) MCHR1ADRA2AADRA1AHTR2BHTR1A

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 117/4885ADRA1A 209/4885

“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.