SCHEMBL4258534

SCHEMBL4258534

Cc1cnc(N(C)C)nc1N[C@H]1CC[C@@H](NC(=O)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.71
ADRA2A P08913 8/20 0.55
HRH1 P35367 8/20 0.55
HTR2B P41595 8/20 0.55
ADRA1A P35348 5/20 0.55
HTR1A P08908 1/20 0.55
NPY5R Q15761 1/20 0.55
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
MAPK14 Q16539 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
TAS1R2 Q8TE23 2/20 0.45

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
SCHEMBL4258540 1.00 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4270989 0.91 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4270995 0.91 MCHR1 (0.59) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL4262359 0.90 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL4262364 0.90 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL5819952 0.88 MCHR1 (0.76) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4266521 0.86 MCHR1 (0.69) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4266526 0.86 MCHR1 (0.69) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4255465 0.86 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL4255467 0.86 MCHR1 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 MCHR1 3/4885ADRA2A 178/4885HRH1 363/4885

“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.