SCHEMBL4265059

SCHEMBL4265059

Cc1nc(N[C@H]2CC[C@@H](NC(=O)Nc3cc(F)cc(F)c3)CC2)cc(N(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.45
CXCR3 P49682 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ADRA2A P08913 3/20 0.40
HRH1 P35367 3/20 0.40
ADRA1A P35348 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2B P41595 2/20 0.39
AURKB Q96GD4 2/20 0.39
CNR1 P21554 1/20 0.38
KCNH2 Q12809 1/20 0.38
EPHX1 P07099 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4265061 1.00 MCHR1 (0.45) MCHR1CXCR3NPC1RAB9AADRA2A
Trifluoroacetic Acid SCHEMBL4260895 0.94 MCHR1 (0.41) MCHR1CXCR3NPC1RAB9AADRA2A
Trifluoroacetic Acid SCHEMBL5670205 0.94 MCHR1 (0.41) MCHR1CXCR3NPC1RAB9AADRA2A
SCHEMBL4262855 0.85 MCHR1 (0.57) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4262853 0.85 MCHR1 (0.57) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL4264093 0.84 MCHR1 (0.56) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL4264088 0.84 MCHR1 (0.56) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL4264170 0.84 CNR1 (0.42) MCHR1ADRA2AHRH1ADRA1AMEN1
SCHEMBL4264176 0.84 CNR1 (0.42) MCHR1ADRA2AHRH1ADRA1AMEN1
SCHEMBL4258661 0.81 MCHR1 (0.46) 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 3/4885CXCR3 1312/4885NPC1 600/4885

“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.