SCHEMBL4258629

SCHEMBL4258629

Cc1nc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc(N(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.56
ADRA2A P08913 5/20 0.55
HTR2B P41595 4/20 0.55
HRH1 P35367 3/20 0.55
ADRA1A P35348 3/20 0.48
KCNH2 Q12809 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
MAPK14 Q16539 7/20 0.46
HTR1A P08908 2/20 0.43
CYP2C9 P11712 2/20 0.42
HSPB1 P04792 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL4258625 1.00 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL4255585 0.92 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL4255582 0.92 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL4263539 0.90 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL4263541 0.90 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL4263594 0.88 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL4263592 0.88 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL4264899 0.87 MCHR1 (0.72) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL4264896 0.87 MCHR1 (0.72) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL4263795 0.87 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A

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 178/4885HTR2B 20/4885

“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.