SCHEMBL1730002

SCHEMBL1730002

CC[C@H](N)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.56
HTR2A P28223 2/20 0.53
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
TACR1 P25103 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CES2 O00748 1/20 0.44
ACP3 P15309 1/20 0.44
MC4R P32245 1/20 0.44

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
SCHEMBL29707581 1.00 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL1727844 1.00 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL2286649 1.00 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL2399603 0.86 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL12065005 0.86 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL734654 0.84 PNMT (0.67) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL20792210 0.84 PNMT (0.67) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL1730600 0.83 EPHX1 (0.51) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL1730389 0.83 EPHX1 (0.51) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL20993283 0.83 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805342-A Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and use thereof 赛弗卢尔生命科学公司 2022-07-29 CN disclosed
EP-2036881-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1-(FLUORO-, TRIFLUOROMETHYL- OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVE CENTRAL GLASS CO LTD (JP) 2013-09-25 EP disclosed
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-7985880-B2 Method for producing optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy-substituted phenyl) alkylamine N-monoalkyl derivative CENTRAL GLASS COMPANY, LIMITED (JP) 2011-07-26 US disclosed
US-20090326272-A1 Method for Producing Optically Active 1-(Fluoro-, Trifluoromethyl- or Trifluoromethoxy-Substituted Phenyl) Alkylamine N-Monoalkyl Derivative CENTRAL GLASS COMPANY, LIMITED (JP) 2009-12-31 US disclosed
EP-2036881-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1-(FLUORO-, TRIFLUOROMETHYL- OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVE Central Glass Co., Ltd. (JP) 2009-03-18 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 (3 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-20090326272-A1 Method for Producing Optically Active 1-(Fluoro-, Trifluoromethyl- or Trifluoromethoxy-Substituted Phenyl) Alkylamine N-Monoalkyl Derivative NAT1, MAOA, HNMT PNMT 13/4885HTR2A 375/4885HTR2B 359/4885
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 PNMT 2/4885HTR2A 148/4885HTR2B 157/4885
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT PNMT 3/4885HTR2A 188/4885HTR2B 154/4885

“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.