SCHEMBL1730276

SCHEMBL1730276

CCCC[C@@H](N)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.43
SLC2A1 P11166 1/20 0.40
SLC7A5 Q01650 2/20 0.39
SLC6A2 P23975 3/20 0.38
GNRHR P30968 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
SCHEMBL1727852 1.00 CETP (0.43) CETPSLC2A1SLC7A5SLC6A2GNRHR
SCHEMBL21288062 0.91 CETP (0.41) CETPSLC6A2GNRHR
SCHEMBL1727835 0.85 SLC2A1 (0.41) CETPSLC2A1SLC7A5SLC6A2
SCHEMBL20792262 0.85 SLC7A5 (0.46) CETPSLC7A5SLC6A2GNRHR
SCHEMBL1728053 0.85 SLC6A2 (0.41) SLC7A5SLC6A2GNRHR
SCHEMBL12261520 0.85 SLC6A2 (0.41) SLC7A5SLC6A2GNRHR
SCHEMBL1727571 0.85 SLC2A1 (0.41) CETPSLC2A1SLC7A5SLC6A2
SCHEMBL1729766 0.85 SLC6A2 (0.41) SLC7A5SLC6A2GNRHR
SCHEMBL22953384 0.84 SLC6A2 (0.38) SLC7A5SLC6A2GNRHR
SCHEMBL23564326 0.84 CETP (0.44) CETPSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530562-B1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS CO LTD (JP) 2011-11-30 EP disclosed
US-7368609-B2 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-06 US disclosed
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same CENTRAL GLASS CO., LTD. (JP) 2007-06-21 US disclosed
US-7186865-B2 Reacting optically active secondary amine with alkylation agent in presence of a base, thereby converting the secondary amine into an optically active tertiary amine and subjecting the tertiary amine to hydrogenolysis, producing the N-monoalkyl derivative; intermediates for drugs, agriculture CENTRAL GLASS COMPANY, LIMITED (JP) 2007-03-06 US disclosed
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2004-11-25 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 (2 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-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 CETP 1304/4885SLC2A1 4519/4885SLC7A5 2362/4885
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT CETP 1554/4885SLC2A1 4567/4885SLC7A5 2835/4885

“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.