SCHEMBL1728053

SCHEMBL1728053

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.41
GNRHR P30968 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
SLC7A5 Q01650 2/20 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
SCHEMBL1729766 1.00 SLC6A2 (0.41) SLC6A2GNRHRTRPM8GPR139SLC7A5
SCHEMBL12261520 1.00 SLC6A2 (0.41) SLC6A2GNRHRTRPM8GPR139SLC7A5
Hydrochloric Acid SCHEMBL21272610 0.98 SLC6A2 (0.42) SLC6A2GNRHRTRPM8
Hydrochloric Acid SCHEMBL29440446 0.98 SLC6A2 (0.42) SLC6A2GNRHRTRPM8
Hydrochloric Acid SCHEMBL16563565 0.98 SLC6A2 (0.42) SLC6A2GNRHRTRPM8
SCHEMBL21288062 0.88 CETP (0.41) SLC6A2GNRHRTRPM8GPR139
SCHEMBL22965301 0.86 TACR1 (0.40) SLC6A2GNRHR
SCHEMBL22952644 0.86 TACR1 (0.40) SLC6A2GNRHR
SCHEMBL734938 0.85 KIF11 (0.43) SLC6A2TRPM8SLC7A5
SCHEMBL1730276 0.85 CETP (0.43) SLC6A2GNRHRSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4241843-A2 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. Lundbeck A/S (DK) 2023-09-13 EP disclosed
EP-3755684-B1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H LUNDBECK AS (DK) 2023-07-12 EP disclosed
US-11548849-B2 Alcohol derivatives as KV7 potassium channel openers H. LUNDBECK A/S (DK) 2023-01-10 US disclosed
WO-2021023617-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2021-02-11 WO disclosed
WO-2021023616-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS FOR USE IN EPILEPSY OR SEIZURES H. LUNDBECK A/S (DK) 2021-02-11 WO disclosed
US-20210032196-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2021-02-04 US disclosed
US-20200172474-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2020-06-04 US disclosed
WO-2019161877-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2019-08-29 WO disclosed
US-20190256456-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2019-08-22 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
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 (7 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 SLC6A2 1353/4885GNRHR 3462/4885TRPM8 1486/4885
US-11548849-B2 Alcohol derivatives as KV7 potassium channel openers KCNA7, KCNK17, KCNAB1 SLC6A2 452/4885GNRHR 3478/4885TRPM8 82/4885
US-20040235961-A1 Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same NAT1, PNMT, AFF1 SLC6A2 1673/4885GNRHR 3421/4885TRPM8 2384/4885
US-20190256456-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS KCNA7, KCNK17, KCNQ1 SLC6A2 396/4885GNRHR 3573/4885TRPM8 65/4885
US-20210032196-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS KCNA7, KCNK17, KCNQ1 SLC6A2 396/4885GNRHR 3573/4885TRPM8 65/4885
US-20200172474-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS KCNA7, KCNK17, KCNQ1 SLC6A2 396/4885GNRHR 3573/4885TRPM8 65/4885
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT SLC6A2 1872/4885GNRHR 2682/4885TRPM8 2473/4885

“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.