SCHEMBL4255508

SCHEMBL4255508

Cc1nc(N[C@H]2CC[C@@H](CNC(=O)c3cccc(OC(F)(F)F)c3)CC2)cc(N(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.51
ADRA2A P08913 3/20 0.44
ADRA1A P35348 2/20 0.44
HTR2B P41595 2/20 0.44
HRH1 P35367 1/20 0.44
HTR1A P08908 1/20 0.44
NPY5R Q15761 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
NAMPT P43490 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 1/20 0.40
CXCR3 P49682 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
GLS O94925 1/20 0.39

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
SCHEMBL4255504 1.00 MCHR1 (0.51) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL4262303 0.91 MCHR1 (0.58) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL4262300 0.91 MCHR1 (0.58) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL4269125 0.90 MCHR1 (0.57) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL4269131 0.90 MCHR1 (0.57) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL4263607 0.89 MCHR1 (0.60) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL4263612 0.89 MCHR1 (0.60) MCHR1ADRA2AADRA1AHTR2BHRH1
Hydrochloric Acid SCHEMBL4269142 0.88 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
Hydrochloric Acid SCHEMBL4269138 0.88 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1
Trifluoroacetic Acid SCHEMBL4267018 0.88 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1

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 178/4885ADRA1A 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.