SCHEMBL69885

SCHEMBL69885

FC(F)(F)c1cccc(OC2CCN(Cc3ccccc3)C2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.64
OPRK1 P41145 1/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
SIGMAR1 Q99720 2/20 0.51
MEN1 O00255 1/20 0.50
ROCK1 Q13464 3/20 0.49
UBE2M P61081 2/20 0.49
DCUN1D1 Q96GG9 2/20 0.49
ROCK2 O75116 2/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
Hydrochloric Acid SCHEMBL10608022 0.99 FFAR1 (0.63) FFAR1OPRK1KMT2AKDM4EALDH1A1
SCHEMBL10607349 0.93 OPRK1 (0.61) FFAR1OPRK1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10607357 0.92 OPRK1 (0.60) FFAR1OPRK1KMT2AKDM4EALDH1A1
SCHEMBL13439733 0.88 OPRK1 (0.53) FFAR1OPRK1GAAROCK1ROCK2
SCHEMBL13439732 0.88 OPRK1 (0.53) FFAR1OPRK1GAAROCK1ROCK2
SCHEMBL10605546 0.86 BCHE (0.58) FFAR1LMNAGAASIGMAR1ROCK1
SCHEMBL10607345 0.84 OPRK1 (0.58) FFAR1OPRK1KDM4EALDH1A1GAA
SCHEMBL22365421 0.83 FFAR1 (0.69) FFAR1OPRK1KMT2ASIGMAR1MEN1
SCHEMBL10607825 0.83 HRH3 (0.62) OPRK1GAAROCK1ROCK2BCHE
Hydrochloric Acid SCHEMBL10605816 0.83 OPRK1 (0.57) FFAR1OPRK1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-0147909-B1 ARYLOXY-N-(AMINOALKYL)-1-PYRROLIDINE AND PIPERIDINE CARBOXAMIDES AND CARBOTHIOAMIDES HAVING ANTIARRHYTHMIC ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1989-12-06 EP disclosed
US-4547514-A Aryloxy-N-(aminoalkyl)-1-pyrrolidine and piperidine carboxamides and carbothioamides having antiarrhythmic activity A. H. ROBINS COMPANY, INCORPORATED (US) 1985-10-15 US disclosed
EP-0147909-A1 Aryloxy-N-(aminoalkyl)-1-pyrrolidine and piperidine carboxamides and carbothioamides having antiarrhythmic activity A.H. ROBINS COMPANY, INCORPORATED (US) 1985-07-10 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 FFAR1 276/4885OPRK1 3128/4885KMT2A 1352/4885

“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.