SCHEMBL3480459

SCHEMBL3480459

O=C(Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 5/20 0.68
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 1/20 0.62
POLB P06746 2/20 0.61
MAPT P10636 3/20 0.58
HTT P42858 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
RAB9A P51151 1/20 0.56
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL7694742 0.87 KDM4E (0.73) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL10566656 0.87 KDM4E (0.54) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL10468409 0.87 KDM4E (0.54) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL978291 0.86 KDM4E (0.71) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL1433205 0.85 KDM4E (0.66) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL7172752 0.85 ALDH1A1 (0.67) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL11784892 0.85 KDM4E (0.79) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL1432938 0.84 ALDH1A1 (0.72) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL11786444 0.84 KDM4E (0.69) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2
Hydrochloric Acid SCHEMBL10754121 0.84 KDM4E (0.69) KDM4EALDH1A1CYP1A2CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002066413-A1 FLECAINIDE SYNTHESIS NARCHEM CORPORATION (US) 2002-08-29 WO claimed
US-4684733-A Process for the preparation of intermediates of derivatives of pyrrolidine and piperidine RIKER LABORATORIES, INC. (US) 1987-08-04 US claimed
US-4617396-A Process for the preparation of derivatives of piperidine RIKER LABORATORIES, INC. (US) 1986-10-14 US claimed
US-20100056794-A1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(2,2,2-TRIFLUOROETHOXY)-N-(2-PIPERIDYL-METHYL)-BENZAMIDE AND SALTS THEREOF GRINDEKS A JOINT STOCK COMPANY (LV) 2010-03-04 US disclosed
EP-1918280-A1 Process for the preparation of 2,5-bis-(2,2,2-trifluoroethoxy)-N-(2-piperidylmethyl)-benzamide and salts thereof "Joint Stock Company Grindeks" (LV) 2008-05-07 EP disclosed
WO-2002066413-A1 FLECAINIDE SYNTHESIS NARCHEM CORPORATION (US) 2002-08-29 WO disclosed
US-4824953-A Multi-step process for producing 5-hydroxy-N-(6-oxo-piperidyl-methyl)-2-(2,2,2-trifluoro-ethoxy)-benzamide and derivatives RIKER LABORATORIES, INC. (US) 1989-04-25 US disclosed
US-4684733-A Process for the preparation of intermediates of derivatives of pyrrolidine and piperidine RIKER LABORATORIES, INC. (US) 1987-08-04 US disclosed
US-4656285-A Compound 2-acetamidomethyl-6-methoxy-pyridine RIKER LABORATORIES, INC. (US) 1987-04-07 US disclosed
US-4617396-A Process for the preparation of derivatives of piperidine RIKER LABORATORIES, INC. (US) 1986-10-14 US disclosed
US-4555573-A Certain 6-benzamidomethyl-2(1H)-pyridone derivatives RIKER LABORATORIES, INC. (US) 1985-11-26 US disclosed
US-4496734-A Metabolite RIKER LABORATORIES, INC. (US) 1985-01-29 US disclosed
US-4097481-A ANTIARRHYTHMIC AGENTS RIKER LABORATORIES, INC. (US) 1978-06-27 US disclosed
US-4013670-A ANTIARRHYTHMICS RIKER LABORATORIES, INC. (US) 1977-03-22 US disclosed
US-4005209-A Antiarrhythmic method utilizing fluoroalkoxy-N-piperidyl and pyridyl benzamides RIKER LABORATORIES, INC. (US) 1977-01-25 US disclosed
US-3996280-A INTERMEDIATES FOR LOCAL ANESTHETICS AND ARRHYTHMICS RIKER LABORATORIES, INC. (US) 1976-12-07 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 (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-20100056794-A1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(2,2,2-TRIFLUOROETHOXY)-N-(2-PIPERIDYL-METHYL)-BENZAMIDE AND SALTS THEREOF BOLA2; BOLA2B, TET2, CYP1A2 KDM4E 429/4885ALDH1A1 430/4885CYP1A2 3/4885

“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.