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SCHEMBL2442285

SCHEMBL2442285

O=C(O)C1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.69
▸ MAOA P21397 1/20 0.69
▸ HPGD P15428 2/20 0.67
▸ RAB9A P51151 6/20 0.62
▸ NPC1 O15118 5/20 0.62
▸ POLB P06746 3/20 0.62
▸ GLA P06280 1/20 0.62
▸ FFAR1 O14842 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ NR4A2 P43354 1/20 0.54
▸ TSHR P16473 1/20 0.53

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
SCHEMBL2441599 1.00 MAOB (0.69) MAOBMAOAHPGDRAB9ANPC1
SCHEMBL2446338 1.00 MAOB (0.69) MAOBMAOAHPGDRAB9ANPC1
SCHEMBL1380797 0.91 RAB9A (0.77) MAOBMAOAHPGDRAB9ANPC1
SCHEMBL1380803 0.91 RAB9A (0.77) MAOBMAOAHPGDRAB9ANPC1
SCHEMBL1382524 0.91 MAOB (0.74) MAOBMAOAHPGDRAB9ANPC1
SCHEMBL2441560 0.91 RAB9A (0.77) MAOBMAOAHPGDRAB9ANPC1
SCHEMBL5095925 0.91 MAOB (0.74) MAOBMAOAHPGDRAB9ANPC1
SCHEMBL3368602 0.89 MAOB (0.71) MAOBMAOAHPGDRAB9ANPC1
SCHEMBL3365392 0.89 MAOB (0.71) MAOBMAOAHPGDRAB9ANPC1
SCHEMBL5104959 0.89 MAOB (0.66) MAOBMAOAHPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861363-B1 METHOD OF PREPARATION OF PURE 4-PYRROLIDINOPHENYLBENZYL ETHER DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2011-09-28 — — EP claimed
US-7501528-B2 Method for preparing enantiomerically pure 4-pyrrolidino phenylbenzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 — — US claimed
EP-1861363-A1 METHOD OF PREPARATION OF PURE 4-PYRROLIDINOPHENYLBENZYL ETHER DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-05 — — EP claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 — — WO claimed
WO-2006097270-A1 METHOD OF PREPARATION OF PURE 4-PYRROLIDINOPHENYLBENZYL ETHER DERIVATIVES AS MAOB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-21 — — WO claimed
US-20060211868-A1 Method for preparing enantiomerically pure 4-pyrrolidino phenylbenzyl ether derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-21 — — US claimed
US-8227505-B2 Method for preparing enantiomerically pure 4-pyrrolidino phenylbenzyl ether derivatives HOFFMAN-LA ROCHE INC. (US) 2012-07-24 — — US disclosed
EP-1861363-B1 METHOD OF PREPARATION OF PURE 4-PYRROLIDINOPHENYLBENZYL ETHER DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2011-09-28 — — EP disclosed
EP-1542970-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-06-30 — — EP disclosed
EP-1542969-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-03-03 — — EP disclosed
US-20090171100-A1 METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINO PHENYLBENZYL ETHER DERIVATIVES HILDBRAND STEFAN 2009-07-02 — — US disclosed
US-7501528-B2 Method for preparing enantiomerically pure 4-pyrrolidino phenylbenzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 — — US disclosed
US-7456210-B2 Benzyloxy derivatives HOFFMANN-LA ROCHE INC. (US) 2008-11-25 — — US disclosed
EP-1542970-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-22 — — EP disclosed
WO-2005026373-A1 ENZYMATIC SYNTHESIS OF ENATIOPURE INTERMEDIATES BY MEANS OF CHOLESTEROLESTERASE FROM YEASTS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 — — WO disclosed
US-20050065204-A1 Process for the preparation of enantiopure pyrrolidin-2-one derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 — — US disclosed
US-20040116707-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 — — US disclosed
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-03 — — US disclosed
WO-2004026825-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2004-04-01 — — WO disclosed
WO-2004026827-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 — — WO 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 (4 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-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885HPGD 151/4885
US-20050065204-A1 Process for the preparation of enantiopure pyrrolidin-2-one derivatives MAOB, MAOA, CYP1B1 MAOB 1/4885MAOA 2/4885HPGD 276/4885
US-20090171100-A1 METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINO PHENYLBENZYL ETHER DERIVATIVES CYP4B1, CYP3A4, PAH MAOB 227/4885MAOA 2270/4885HPGD 1029/4885
US-20060211868-A1 Method for preparing enantiomerically pure 4-pyrrolidino phenylbenzyl ether derivatives CYP4B1, CYP3A4, PAH MAOB 227/4885MAOA 2270/4885HPGD 1029/4885

“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.