SCHEMBL4259799

SCHEMBL4259799

Cc1nc(NC2CCC(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cc(N(C)C)n1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.71
ADRA2A P08913 5/20 0.71
ADRA1A P35348 3/20 0.71
HRH1 P35367 3/20 0.71
CNR1 P21554 1/20 0.48
KCNH2 Q12809 1/20 0.48
AURKB Q96GD4 1/20 0.48
HTR2B P41595 3/20 0.47
HTR1A P08908 1/20 0.47
PHGDH O43175 2/20 0.41

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
SCHEMBL4259795 1.00 MCHR1 (0.71) MCHR1ADRA2AADRA1AHRH1CNR1
Trifluoroacetic Acid SCHEMBL4255671 0.96 MCHR1 (0.67) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL4266231 0.94 MCHR1 (0.64) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL4266225 0.94 MCHR1 (0.64) MCHR1ADRA2AADRA1AHRH1CNR1
Hydrochloric Acid SCHEMBL4262192 0.93 MCHR1 (0.63) MCHR1ADRA2AADRA1AHRH1CNR1
Hydrochloric Acid SCHEMBL4262197 0.93 MCHR1 (0.63) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL4258593 0.92 MCHR1 (0.60) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL4258595 0.92 MCHR1 (0.60) MCHR1ADRA2AADRA1AHRH1CNR1
Hydrochloric Acid SCHEMBL4269111 0.91 MCHR1 (0.59) MCHR1ADRA2AADRA1AHRH1CNR1
Hydrochloric Acid SCHEMBL4269114 0.91 MCHR1 (0.59) MCHR1ADRA2AADRA1AHRH1CNR1

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 4 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
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP claimed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO 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 178/4885ADRA1A 271/4885

“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.