SCHEMBL1729802

SCHEMBL1729802

C[C@@H](N)c1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.43
KCNK9 Q9NPC2 2/20 0.43
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 2/20 0.37
PDE2A O00408 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
PNMT P11086 1/20 0.37
EGFR P00533 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.36
KCNH2 Q12809 1/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL29786601 1.00 KCNK3 (0.43) KCNK3KCNK9SLC6A2SLC6A4SLC6A3
SCHEMBL10476125 1.00 KCNK3 (0.43) KCNK3KCNK9SLC6A2SLC6A4SLC6A3
SCHEMBL1729143 1.00 KCNK3 (0.43) KCNK3KCNK9SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6977271 0.98 KCNK3 (0.43) KCNK3KCNK9SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL14120759 0.98 KCNK3 (0.43) KCNK3KCNK9SLC6A2SLC6A4SLC6A3
SCHEMBL807278 0.84 KCNK3 (0.52) KCNK3KCNK9SLC6A2SLC6A4CYP2D6
SCHEMBL24180095 0.82 KCNK3 (0.38) KCNK3KCNK9SLC6A2SLC6A4PDE2A
SCHEMBL5924730 0.81 KCNK3 (0.43) KCNK3KCNK9SLC6A2SLC6A4SLC6A3
SCHEMBL21882592 0.81 KCNK3 (0.43) KCNK3KCNK9SLC6A2SLC6A4SLC6A3
SCHEMBL10192275 0.81 KCNK3 (0.43) KCNK3KCNK9SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3849968-A1 1H-INDAZOLE CARBOXAMIDES AS RECEPTOR-INTERACTING PROTEIN KINASE 1 INHIBITORS (RIPK1) Bristol-Myers Squibb Company (US) 2021-07-21 EP disclosed
CN-112673000-A 1H-indazole carboxamides as receptor interacting protein kinase 1 inhibitors (RIPK1) 百时美施贵宝公司 2021-04-16 CN disclosed
WO-2020056072-A1 1H-INDAZOLE CARBOXAMIDES AS RECEPTOR-INTERACTING PROTEIN KINASE 1 INHIBITORS (RIPK1) BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-19 WO 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
WO-2011103441-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2011-08-25 WO 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 KCNK3 738/4885KCNK9 687/4885SLC6A2 1353/4885
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 KCNK3 365/4885KCNK9 472/4885SLC6A2 1673/4885
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT KCNK3 371/4885KCNK9 474/4885SLC6A2 1872/4885

“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.