SCHEMBL3248504

SCHEMBL3248504

FC(F)(F)C(Cc1ccccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
TRPA1 O75762 1/20 0.42
CES1 P23141 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
CALM1 P0DP23 1/20 0.41
FDPS P14324 1/20 0.40
MAOB P27338 2/20 0.39
IDO1 P14902 2/20 0.39
EPHX2 P34913 1/20 0.39
FAAH O00519 3/20 0.38
TP53 P04637 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
SCHEMBL7751952 0.86 SLC6A2 (0.40) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL11021341 0.79 SLC6A2 (0.46) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL3277336 0.79 SLC6A2 (0.46) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL185769 0.78 SLC6A2 (0.50) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL19224281 0.78 SLC6A2 (0.50) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL5211703 0.76 SLC6A2 (0.48) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL29253660 0.76 SLC6A2 (0.48) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL6112085 0.75 CES1 (0.42) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL5409507 0.75 TAAR1 (0.54) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL4982665 0.75 CYP1A2 (0.52) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-0164123-B1 TRIS(DISUBSTITUTED AMINO)SULFONIUM PERFLUOROCARBANION SALTS AND PROCESS FOR THEIR PREPARATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-09 EP disclosed
US-4621126-A Group transfer polymerization employing tris(disubstituted amino)sulfonium perfluorocarbanion salts as catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-11-04 US disclosed
EP-0164123-A2 Tris(Disubstituted amino)sulfonium perfluorocarbanion salts and process for their preparation E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-11 EP disclosed
US-4535184-A CHEMICAL INTERMEDIATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-13 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 SLC6A2 1969/4885TAAR1 436/4885CYP1A2 1561/4885

“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.