SCHEMBL4576131

SCHEMBL4576131

COc1ccc(C(C)(C)CN(Cc2ccc(OC(F)(F)F)cc2)c2ncccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MAPT P10636 1/20 0.52
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
SLC6A4 P31645 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD1 P21728 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH1 P35367 1/20 0.46
OPRM1 P35372 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL4575895 0.86 PPARA (0.44) LMNAMEN1KMT2A
SCHEMBL4575175 0.80 TRPM8 (0.39) TSHRSLC6A4VNN1GRIN2BCETP
SCHEMBL4575338 0.77 PPARA (0.42) TRPM8
SCHEMBL28298127 0.76 LMNA (0.77) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL4576109 0.76 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2TRPM8
SCHEMBL4575710 0.74 NR1H2 (0.39) TSHRGRIN2BCETPTRPM8
SCHEMBL31256404 0.74 LMNA (0.47) LMNAMAPTCYP1A2CYP2D6TSHR
SCHEMBL14277910 0.73 RXRA (0.33) GRIN2BTRPM8
SCHEMBL4575614 0.73 TRPM8 (0.37) MAPTMEN1ALDH1A1CYP2C19KMT2A
SCHEMBL4574823 0.73 NR1H2 (0.40) SLC6A4GRIN2BCETPTRPM8

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 LMNA 3670/4885MAPT 3860/4885CYP1A2 668/4885

“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.