SCHEMBL6457955

SCHEMBL6457955

CN(C)c1nc(NC2CCC(N(C(=O)C(F)(F)F)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)ncc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.52
ADRA2A P08913 8/20 0.52
HTR2B P41595 6/20 0.52
ADRA1A P35348 5/20 0.52
HTR1A P08908 1/20 0.52
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
HRH1 P35367 6/20 0.42
ULK1 O75385 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MAPK3 P27361 1/20 0.38
AURKA O14965 1/20 0.38
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
CDK1 P06493 1/20 0.38
IGF1R P08069 1/20 0.38
KIT P10721 1/20 0.38
EPHA1 P21709 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL6457142 0.84 MCHR1 (0.43) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6462104 0.83 MCHR1 (0.50) MCHR1ADRA2AHTR2BADRA1AHTR1A
Trifluoroacetic Acid SCHEMBL6457950 0.80 MCHR1 (0.60) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL5524846 0.79 MCHR1 (0.51) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6457756 0.78 MCHR1 (0.62) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL27632454 0.78 MCHR1 (0.55) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6455417 0.76 MCHR1 (0.56) MCHR1ADRA2AHTR2BADRA1AHTR1A
Trifluoroacetic Acid SCHEMBL6828534 0.76 MCHR1 (0.47) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6462208 0.75 MCHR1 (0.50) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL4255674 0.75 MCHR1 (0.48) MCHR1ADRA2AHTR2BADRA1AHTR1A

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 3 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 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 117/4885HTR2B 22/4885

“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.