SCHEMBL4575799

SCHEMBL4575799

COc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.52
CHRM2 P08172 3/20 0.52
ADRA2A P08913 3/20 0.52
DRD1 P21728 3/20 0.52
SLC6A4 P31645 3/20 0.52
SLC6A3 Q01959 3/20 0.52
KCNH2 Q12809 3/20 0.52
LMNA P02545 2/20 0.52
HTR2A P28223 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
OPRM1 P35372 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52

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
SCHEMBL4576095 0.87 POLQ (0.52) HRH1CHRM2ADRA2ADRD1SLC6A4
SCHEMBL4575631 0.86 PPARA (0.54) LMNAPOLQBLMPMP22SMN1; SMN2
SCHEMBL5674356 0.78 POLQ (0.55) HRH1CHRM2ADRA2ADRD1SLC6A4
SCHEMBL4575267 0.76 PPARA (0.57) POLQPPARDPPARGPPARA
SCHEMBL4575633 0.74 PPARA (0.53) POLQPPARDPPARGPPARA
SCHEMBL4575657 0.73 PPARA (0.56) PPARDPPARGPPARA
SCHEMBL4574770 0.72 PPARA (0.53) PPARDPPARGPPARA
SCHEMBL4575374 0.72 PPARA (0.52) HRH1CHRM2ADRA2ADRD1SLC6A4
SCHEMBL9574744 0.71 LMNA (0.76) HRH1CHRM2ADRA2ADRD1SLC6A4
SCHEMBL5631214 0.71 POLQ (0.50) CYP2C19POLQPPARDPPARGPPARA

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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD HRH1 610/4885CHRM2 2441/4885ADRA2A 80/4885

“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.