SCHEMBL1728680

SCHEMBL1728680

C[C@@H](N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.51
IDO1 P14902 4/20 0.47
TDO2 P48775 2/20 0.47
PDE2A O00408 1/20 0.45
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PNMT P11086 1/20 0.40
CES2 O00748 1/20 0.38
TACR3 P29371 1/20 0.36

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
SCHEMBL1492761 1.00 TACR1 (0.51) TACR1IDO1TDO2PDE2ACACNA1F
SCHEMBL6917133 1.00 TACR1 (0.51) TACR1IDO1TDO2PDE2ACACNA1F
SCHEMBL336049 1.00 TACR1 (0.51) TACR1IDO1TDO2PDE2ACACNA1F
SCHEMBL7939177 1.00 TACR1 (0.51) TACR1IDO1TDO2PDE2ACACNA1F
Hydrochloric Acid SCHEMBL4471353 0.98 TACR1 (0.50) TACR1IDO1TDO2PDE2ACACNA1F
Methane SCHEMBL4258949 0.98 TACR1 (0.50) TACR1IDO1TDO2PDE2ACACNA1F
Hydrochloric Acid SCHEMBL7170075 0.98 TACR1 (0.50) TACR1IDO1TDO2PDE2ACACNA1F
Hydrochloric Acid SCHEMBL17439064 0.98 TACR1 (0.50) TACR1IDO1TDO2PDE2ACACNA1F
SCHEMBL29799650 0.88 TACR1 (0.44) TACR1IDO1TDO2PDE2ACACNA1F
SCHEMBL29799603 0.88 TACR1 (0.44) TACR1IDO1TDO2PDE2ACACNA1F

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114457125-B Method for synthesizing (R) -1- [3,5-bis (trifluoromethyl) phenyl ] ethylamine by coupling transaminase and alcohol dehydrogenase 浙江工业大学 2024-04-09 CN claimed
CN-115215941-A Nano double-enzyme cascade reactor based on spontaneous isopeptide bond covalent self-assembly 浙江工业大学 2022-10-21 CN claimed
CN-118389462-A Fusion enzyme of alcohol dehydrogenase and transaminase, coding gene, engineering bacteria and application 江西中医药大学 2024-07-26 CN disclosed
CN-114457125-B Method for synthesizing (R) -1- [3,5-bis (trifluoromethyl) phenyl ] ethylamine by coupling transaminase and alcohol dehydrogenase 浙江工业大学 2024-04-09 CN disclosed
CN-114457125-B Method for synthesizing (R) -1- [3,5-bis (trifluoromethyl) phenyl ] ethylamine by coupling transaminase and alcohol dehydrogenase 浙江工业大学 2024-04-09 CN disclosed
CN-114457125-B Method for synthesizing (R) -1- [3,5-bis (trifluoromethyl) phenyl ] ethylamine by coupling transaminase and alcohol dehydrogenase 浙江工业大学 2024-04-09 CN disclosed
CN-115215941-A Nano double-enzyme cascade reactor based on spontaneous isopeptide bond covalent self-assembly 浙江工业大学 2022-10-21 CN disclosed
CN-114457125-A Method for synthesizing (R) -1- [3,5-bis (trifluoromethyl) phenyl ] ethylamine by coupling transaminase and alcohol dehydrogenase 浙江工业大学 2022-05-10 CN disclosed
CN-114457125-A Method for synthesizing (R) -1- [3,5-bis (trifluoromethyl) phenyl ] ethylamine by coupling transaminase and alcohol dehydrogenase 浙江工业大学 2022-05-10 CN disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US 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
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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 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
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 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 (5 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 TACR1 3349/4885IDO1 232/4885TDO2 164/4885
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 TACR1 3950/4885IDO1 362/4885TDO2 262/4885
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 TACR1 968/4885IDO1 1179/4885TDO2 2050/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A TACR1 712/4885IDO1 1074/4885TDO2 1035/4885
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT TACR1 3619/4885IDO1 626/4885TDO2 405/4885

“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.