SCHEMBL4263680

SCHEMBL4263680

CN(C)c1cc(NC2CCC(CNC(=O)c3ccc(F)c(F)c3)CC2)ncn1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.67
ADRA2A P08913 1/20 0.62
ADRA1A P35348 1/20 0.62
HRH1 P35367 1/20 0.62
HTR2B P41595 1/20 0.62
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
MAPK14 Q16539 6/20 0.47
AR P10275 1/20 0.47
CYP2C9 P11712 2/20 0.45
MAPK11 Q15759 1/20 0.45

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
SCHEMBL4263673 1.00 MCHR1 (0.67) MCHR1ADRA2AADRA1AHRH1HTR2B
Hydrochloric Acid SCHEMBL4258579 0.99 MCHR1 (0.66) MCHR1ADRA2AADRA1AHRH1HTR2B
Hydrochloric Acid SCHEMBL4258575 0.99 MCHR1 (0.66) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL4263661 0.87 MCHR1 (0.69) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL4263667 0.87 MCHR1 (0.69) MCHR1ADRA2AADRA1AHRH1HTR2B
Hydrochloric Acid SCHEMBL4257335 0.86 MCHR1 (0.67) MCHR1ADRA2AADRA1AHRH1HTR2B
Hydrochloric Acid SCHEMBL4257343 0.86 MCHR1 (0.67) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL4266951 0.86 MCHR1 (0.74) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL4266945 0.86 MCHR1 (0.74) MCHR1ADRA2AADRA1AHRH1HTR2B
Hydrochloric Acid SCHEMBL4269849 0.85 MCHR1 (0.73) MCHR1ADRA2AADRA1AHRH1HTR2B

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 3 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 disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO 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.