SCHEMBL6464322

SCHEMBL6464322

Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)c3cccc(OC(F)(F)F)c3)CC2)n1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.81
CNR1 P21554 1/20 0.67
KCNH2 Q12809 1/20 0.67
AURKB Q96GD4 1/20 0.67
ADRA2A P08913 8/20 0.66
HRH1 P35367 4/20 0.66
ADRA1A P35348 3/20 0.66
HTR2B P41595 3/20 0.64
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49

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
SCHEMBL6464331 1.00 MCHR1 (0.81) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6868504 0.90 MCHR1 (1.00) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6868500 0.90 MCHR1 (1.00) MCHR1CNR1KCNH2AURKBADRA2A
Hydrochloric Acid SCHEMBL6457974 0.89 MCHR1 (0.98) MCHR1CNR1KCNH2AURKBADRA2A
Hydrochloric Acid SCHEMBL6457983 0.89 MCHR1 (0.98) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6880861 0.89 MCHR1 (0.65) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6880857 0.89 MCHR1 (0.65) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6875870 0.89 MCHR1 (0.69) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6875866 0.89 MCHR1 (0.69) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6465507 0.89 MCHR1 (1.00) MCHR1CNR1KCNH2AURKBADRA2A

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 6 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
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 2/4885CNR1 77/4885KCNH2 1870/4885

“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.