SCHEMBL1728974

SCHEMBL1728974

CCCC[C@@H](N)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.55
PDE2A O00408 1/20 0.45
SLC7A5 Q01650 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TSHR P16473 1/20 0.41
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL1729187 1.00 SLC2A1 (0.55) SLC2A1PDE2ASLC7A5HDAC3HDAC1
SCHEMBL13216636 0.90 PDE2A (0.47) SLC2A1PDE2ASLC7A5HDAC3HDAC1
SCHEMBL16563613 0.90 PDE2A (0.47) SLC2A1PDE2ASLC7A5HDAC3HDAC1
Hydrochloric Acid SCHEMBL16563775 0.89 SLC2A1 (0.49) SLC2A1PDE2ASLC7A5HDAC3HDAC1
SCHEMBL1727571 0.84 SLC2A1 (0.41) SLC2A1PDE2ASLC7A5HDAC3HDAC1
SCHEMBL1727835 0.84 SLC2A1 (0.41) SLC2A1PDE2ASLC7A5HDAC3HDAC1
SCHEMBL20746964 0.83 PDE2A (0.47) SLC2A1PDE2ASLC7A5HDAC3HDAC1
SCHEMBL1727845 0.83 PDE2A (0.50) PDE2ASLC7A5TSHRNOS3NOS1
SCHEMBL9209206 0.83 PDE2A (0.50) PDE2ASLC7A5TSHRNOS3NOS1
SCHEMBL1729820 0.83 PDE2A (0.50) PDE2ASLC7A5TSHRNOS3NOS1

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 SLC2A1 4519/4885PDE2A 1807/4885SLC7A5 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 SLC2A1 4567/4885PDE2A 1623/4885SLC7A5 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.