Sembragiline

Sembragiline

SCHEMBL2440943

CC(=O)NC1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 1.00
MAOA P21397 1/20 1.00
TP53 P04637 5/20 0.56
LMNA P02545 3/20 0.55
POLB P06746 5/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.50

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
Sembragiline SCHEMBL3365609 1.00 MAOB (1.00) MAOBMAOATP53LMNAPOLB
Sembragiline SCHEMBL2440939 1.00 MAOB (1.00) MAOBMAOATP53LMNAPOLB
Sembragiline SCHEMBL29361249 1.00 MAOB (1.00) MAOBMAOATP53LMNAPOLB
SCHEMBL3368619 0.91 MAOA (0.84) MAOBMAOATP53LMNAPOLB
SCHEMBL3368627 0.91 MAOA (0.84) MAOBMAOATP53LMNAPOLB
SCHEMBL3367653 0.91 MAOB (0.84) MAOBMAOATP53LMNAPOLB
SCHEMBL3367651 0.91 MAOB (0.84) MAOBMAOATP53LMNAPOLB
SCHEMBL3367888 0.90 MAOB (0.82) MAOBMAOATP53LMNAPOLB
SCHEMBL3367900 0.90 MAOB (0.82) MAOBMAOATP53LMNAPOLB
SCHEMBL3366544 0.89 MAOA (0.81) MAOBMAOATP53LMNAPOLB

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 48 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
EP-1542970-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-06-30 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
US-7485731-B2 Method for preparing enantiomerically pure 4-pyrrolidinophenylbenzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US claimed
EP-1861362-B1 METHOD FOR PREPARING ENANTIOMERICALLY PURE 4-PYRROLIDINOPHENYL, BENZYL, ETHER DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-26 EP 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
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-7151111-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US 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-20060211869-A1 Method for preparing enantiomerically pure 4-pyrrolidinophenylbenzyl ether derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-21 US 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
EP-1542970-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP claimed
US-20040116707-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US claimed
WO-2004026825-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO claimed
US-9562009-B2 Process to manufacture N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-pyrrolidin-3-yl]acetamide HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
US-9562009-B2 Process to manufacture N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-pyrrolidin-3-yl]acetamide HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US 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-20040116707-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
WO-2004026825-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 (3 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885MAOA 2/4885TP53 4879/4885
US-20060211869-A1 Method for preparing enantiomerically pure 4-pyrrolidinophenylbenzyl ether derivatives CYP4B1, CYP3A4, IL4 MAOB 308/4885MAOA 2703/4885TP53 2913/4885
US-20060211868-A1 Method for preparing enantiomerically pure 4-pyrrolidino phenylbenzyl ether derivatives CYP4B1, CYP3A4, PAH MAOB 227/4885MAOA 2270/4885TP53 2822/4885

“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.