SCHEMBL321367

SCHEMBL321367

OCCOCCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
KCNH3 Q9ULD8 2/20 0.43
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MAOB P27338 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39
AOC3 Q16853 1/20 0.38

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
SCHEMBL28367193 0.89 TAAR1 (0.54) TAAR1PTGS1PTGS2MAOBIDO1
SCHEMBL8301476 0.85 MEN1 (0.53) TAAR1KCNH3MAPK1MEN1KMT2A
SCHEMBL9358826 0.81 CA2 (0.60) TAAR1MAPK1MEN1KMT2AUSP2
SCHEMBL1965032 0.81 IDO1 (0.50) KCNH3MAOBIDO1AGXT
SCHEMBL7438849 0.80 TAAR1 (0.42) TAAR1MAPK1MEN1KMT2AUSP2
SCHEMBL10792748 0.79 KCNH2 (0.51) TAAR1MAPK1MEN1KMT2AUSP2
SCHEMBL9439014 0.79 MEN1 (0.42) MAPK1MEN1KMT2AUSP2ALDH1A1
Ethylene Glycol SCHEMBL5570418 0.79 IDO1 (0.48) KCNH3MAOBIDO1AGXT
SCHEMBL17986295 0.79 TAAR1 (0.45) TAAR1MAOBIDO1AGXTAOC3
SCHEMBL8097545 0.79 TAAR1 (0.61) TAAR1MAOBIDO1AGXTAOC3

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
CN-102477008-B Method for synthesizing ezetimibe UNIV SHENYANG PHARMACEUTICAL 2014-05-21 CN claimed
CN-102477008-A Synthesis method of ezetimibe UNIV SHENYANG PHARMACEUTICAL 2012-05-30 CN claimed
CN-102477008-B Method for synthesizing ezetimibe UNIV SHENYANG PHARMACEUTICAL 2014-05-21 CN disclosed
US-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
CN-102477008-A Synthesis method of ezetimibe UNIV SHENYANG PHARMACEUTICAL 2012-05-30 CN disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 WO disclosed
CN-1129599-C Substituted benzothiazine/oxazine-2-amine derivatives, co-preparation method and application thereof PF MEDICAMENT (FR) 2003-12-03 CN disclosed
US-6531469-B1 Treatment of myocardial ischemia, chronic stable angina, unstable angina and prinzmetal's angina attacks, silent cardiac ischemia, reinfarction, reocclusion and restenosis PIERRE FABRE MEDICAMENT (FR) 2003-03-11 US disclosed
EP-1144408-B1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PF MEDICAMENT (FR) 2002-09-25 EP disclosed
CN-1344267-A Substituted 1- (piperidin-4-yl) -3- (aryl) isothioureas, their preparation and their therapeutic use PF MEDICAMENT (FR) 2002-04-10 CN disclosed
EP-1144408-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PIERRE FABRE MEDICAMENT (FR) 2001-10-17 EP disclosed
WO-2000043391-A1 SUBSTITUTED 1-(PIERIDIN-4-YL)-3-(ARYL) ISOTHIOUREAS THEIR PREPARATION AND THERAPEUTIC APPLICATION PIERRE FABRE MEDICAMENT (FR) 2000-07-27 WO disclosed
US-4649160-A HYPOTENSIVE, ANTIARRHYTHMIA, ADRENERGIC BLOCKING AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-03-10 US disclosed
EP-0041233-B1 SUBSTITUTED PHENOXY-AMINOPROPANOL DERIVATIVES, INTERMEDIATES AND PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-15 EP disclosed
EP-0041233-A1 Substituted phenoxy-aminopropanol derivatives, intermediates and processes for their production, and pharmaceutical preparations containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-12-09 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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 TAAR1 608/4885KCNH3 670/4885MAPK1 1315/4885

“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.