SCHEMBL72584

SCHEMBL72584

FC(F)(F)c1cccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
OPRM1 P35372 3/20 0.47
OPRD1 P41143 3/20 0.47
OPRK1 P41145 3/20 0.47
OPRL1 P41146 3/20 0.47
SLC6A9 P48067 1/20 0.47
CACNA2D1 P54289 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNA1C Q13936 1/20 0.45
MGLL Q99685 1/20 0.44
ABHD6 Q9BV23 1/20 0.44
TP53 P04637 1/20 0.44
EPHX2 P34913 1/20 0.43
FFAR1 O14842 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL9682477 0.87 PDE9A (0.49) SLC6A2SLC6A4SLC6A3MGLLABHD6
SCHEMBL1741828 0.85 ACHE (0.48) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL20068830 0.82 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3MGLLABHD6
SCHEMBL1740285 0.82 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL1769006 0.81 SLC6A3 (0.46) SLC6A2SLC6A4SLC6A3OPRM1MGLL
SCHEMBL10605768 0.81 EPHX2 (0.48) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL9596721 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL9596460 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL1740319 0.80 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL1925083 0.80 OPRM1 (0.52) SLC6A2SLC6A4SLC6A3OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0131435-B1 PROCESS FOR PREPARING 3-PHENOXY-1-AZETIDINES AND CARBOXAMIDE DERIVATIVES A.H. ROBINS COMPANY, INCORPORATED (US) 1987-10-07 EP claimed
US-4594189-A Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A. H. ROBINS COMPANY, INC. (US) 1986-06-10 US claimed
EP-0131435-A1 Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A.H. ROBINS COMPANY, INCORPORATED (US) 1985-01-16 EP claimed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7790763-B2 Substituted phenyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
EP-1843767-B1 2,5-DISUBSTITUTED PHENYL METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS. HOFFMANN LA ROCHE (CH) 2009-07-08 EP disclosed
US-5183902-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1993-02-02 US disclosed
US-5151418-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1992-09-29 US disclosed
US-5068231-A Ureas and thioureas for relaxing muscles A. H. ROBINS COMPANY INCORPORATED (US) 1991-11-26 US disclosed
US-4956359-A CARBOXAMIDES OR THIOCARBOXAMIDES OF ARYL OXY OR THIO AZETIDINES A. H. ROBINS COMPANY, INC. (US) 1990-09-11 US disclosed
EP-0194112-B1 3-ARYL-OXYAZETIDINECARBOXAMIDES HAVING ANTI-MUSCLE TENSION, ANTI-MUSCLE SPASTICITY, ANTICONVULSANT AND ANTIEPILECTIC ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1990-05-23 EP disclosed
EP-0131435-B1 PROCESS FOR PREPARING 3-PHENOXY-1-AZETIDINES AND CARBOXAMIDE DERIVATIVES A.H. ROBINS COMPANY, INCORPORATED (US) 1987-10-07 EP disclosed
EP-0194112-A1 3-Aryl-oxyazetidinecarboxamides having anti-muscle tension, anti-muscle spasticity, anticonvulsant and antiepilectic activity A.H. ROBINS COMPANY, INCORPORATED (US) 1986-09-10 EP disclosed
US-4594189-A Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A. H. ROBINS COMPANY, INC. (US) 1986-06-10 US disclosed
EP-0131435-A1 Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A.H. ROBINS COMPANY, INCORPORATED (US) 1985-01-16 EP 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 (1 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SLC6A2 4356/4885SLC6A4 4287/4885SLC6A3 4513/4885

“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.