Sugi Predict

Sugi Predict / Compounds / SCHEMBL1729345

SCHEMBL1729345

SCHEMBL1729345

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.54
▸ SLC6A4 P31645 3/20 0.54
▸ SLC6A3 Q01959 3/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.49
▸ ADRB2 P07550 1/20 0.45
▸ SCN10A Q9Y5Y9 3/20 0.44
▸ EPHX1 P07099 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ SLC7A5 Q01650 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1727739 1.00 PDE2A (0.54) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL2021163 1.00 PDE2A (0.54) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
Hydrochloric Acid SCHEMBL2716505 0.98 PDE2A (0.53) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
Hydrochloric Acid SCHEMBL14120857 0.98 PDE2A (0.53) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
Hydrochloric Acid SCHEMBL20302874 0.98 PDE2A (0.53) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL18266128 0.86 PDE2A (0.53) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL4662934 0.85 MAOB (0.45) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL10290335 0.84 PDE2A (0.52) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL4550416 0.84 PDE2A (0.47) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL3554072 0.84 PDE2A (0.51) PDE2ASLC6A4SLC6A3SLC6A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121617-B1 CB1 RECEPTOR MODULATORS 7TM PHARMA AS (DK) 2014-01-22 — — EP claimed
US-20100010061-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2010-01-14 — — US claimed
EP-2121617-A1 CB1 RECEPTOR MODULATORS 7TM Pharma A/S (DK) 2009-11-25 — — EP claimed
WO-2008075012-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2008-06-26 — — WO claimed
US-11123355-B2 Antiviral benzyl-amine phosphodiamide compounds IDENIX PHARMACEUTICALS LLC (US) 2021-09-21 — — US disclosed
US-20190321380-A1 ANTIVIRAL BENZYL-AMINE PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-10-24 — — US disclosed
US-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 — — US disclosed
US-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 — — US disclosed
EP-2536410-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME (US) 2015-09-23 — — EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 — — US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 — — US disclosed
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2014-08-28 — — 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
EP-1530562-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME Central Glass Company, Limited (JP) 2005-05-18 — — EP 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
WO-2004022521-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-18 — — WO 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 (8 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 PDE2A 1320/4885SLC6A4 1197/4885SLC6A3 1080/4885
US-20190321380-A1 ANTIVIRAL BENZYL-AMINE PHOSPHODIAMIDE COMPOUNDS TYMP, PNP, POLI PDE2A 274/4885SLC6A4 2413/4885SLC6A3 2236/4885
US-11123355-B2 Antiviral benzyl-amine phosphodiamide compounds TYMP, PNP, POLI PDE2A 274/4885SLC6A4 2413/4885SLC6A3 2236/4885
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 PDE2A 1807/4885SLC6A4 1333/4885SLC6A3 1363/4885
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A PDE2A 447/4885SLC6A4 251/4885SLC6A3 170/4885
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT PDE2A 1623/4885SLC6A4 1394/4885SLC6A3 1382/4885
US-20100010061-A1 CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR6 PDE2A 3469/4885SLC6A4 1347/4885SLC6A3 628/4885
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO PDE2A 3144/4885SLC6A4 1564/4885SLC6A3 1308/4885

“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.