SCHEMBL4258595

SCHEMBL4258595

Cc1nc(NC2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(N(C)C)n1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.60
ADRA2A P08913 7/20 0.60
HRH1 P35367 6/20 0.60
ADRA1A P35348 3/20 0.60
HTR2B P41595 5/20 0.54
PHGDH O43175 2/20 0.49
CNR1 P21554 1/20 0.46
KCNH2 Q12809 1/20 0.46
AURKB Q96GD4 1/20 0.46
FAAH O00519 1/20 0.44

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
SCHEMBL4258593 1.00 MCHR1 (0.60) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL4269111 0.99 MCHR1 (0.59) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL4269114 0.99 MCHR1 (0.59) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4259795 0.92 MCHR1 (0.71) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4259799 0.92 MCHR1 (0.71) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4271990 0.90 MCHR1 (0.60) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4271984 0.90 MCHR1 (0.60) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4258037 0.89 MCHR1 (0.70) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4258031 0.89 MCHR1 (0.70) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL4255660 0.89 MCHR1 (0.59) MCHR1ADRA2AHRH1ADRA1AHTR2B

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 2 patents. 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 claimed
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.