SCHEMBL4266587

SCHEMBL4266587

CN(C)c1nccc(N[C@H]2CC[C@@H](NCc3ccc(Br)cc3OC(F)(F)F)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.61
ADRA2A P08913 13/20 0.61
NPY5R Q15761 9/20 0.50
EPHX2 P34913 2/20 0.39
MALT1 Q9UDY8 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
Hydrochloric Acid SCHEMBL4264000 0.99 MCHR1 (0.61) MCHR1ADRA2ANPY5REPHX2MALT1
SCHEMBL6462492 0.85 MCHR1 (0.66) MCHR1ADRA2ANPY5REPHX2HRH4
Hydrochloric Acid SCHEMBL6455453 0.84 MCHR1 (0.65) MCHR1ADRA2ANPY5REPHX2HRH4
SCHEMBL4266637 0.84 MCHR1 (0.60) MCHR1ADRA2ANPY5REPHX2CYP1A2
SCHEMBL4266633 0.84 MCHR1 (0.60) MCHR1ADRA2ANPY5REPHX2CYP1A2
Hydrochloric Acid SCHEMBL4266674 0.83 MCHR1 (0.59) MCHR1ADRA2ANPY5REPHX2CYP1A2
Hydrochloric Acid SCHEMBL4266669 0.83 MCHR1 (0.59) MCHR1ADRA2ANPY5REPHX2CYP1A2
SCHEMBL5669859 0.82 MCHR1 (0.56) MCHR1ADRA2ANPY5REPHX2HRH4
SCHEMBL23124560 0.81 MCHR1 (0.59) MCHR1ADRA2ANPY5REPHX2CYP1A2
SCHEMBL6457443 0.80 MCHR1 (0.73) MCHR1ADRA2ANPY5R

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 1 patent. 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

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 178/4885NPY5R 14/4885

“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.