Sugi Predict

Sugi Predict / Compounds / SCHEMBL3365392

SCHEMBL3365392

SCHEMBL3365392

COC(=O)[C@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.71
▸ MAOA P21397 1/20 0.71
▸ ALDH1A1 P00352 3/20 0.65
▸ GAA P10253 1/20 0.65
▸ NPC1 O15118 4/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ POLB P06746 2/20 0.59
▸ HPGD P15428 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 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
SCHEMBL3363902 1.00 MAOB (0.71) MAOBMAOAALDH1A1GAANPC1
SCHEMBL3368602 1.00 MAOB (0.71) MAOBMAOAALDH1A1GAANPC1
SCHEMBL6028083 0.90 ALDH1A1 (0.67) MAOBMAOAALDH1A1GAANPC1
SCHEMBL5095925 0.90 MAOB (0.74) MAOBMAOAALDH1A1NPC1RAB9A
SCHEMBL1382524 0.90 MAOB (0.74) MAOBMAOAALDH1A1NPC1RAB9A
SCHEMBL6028080 0.90 ALDH1A1 (0.67) MAOBMAOAALDH1A1GAANPC1
SCHEMBL3364207 0.89 MAOA (0.70) MAOBMAOAALDH1A1GAANPC1
SCHEMBL3364214 0.89 MAOA (0.70) MAOBMAOAALDH1A1GAANPC1
SCHEMBL3365237 0.89 MAOA (0.70) MAOBMAOAALDH1A1GAANPC1
SCHEMBL2442285 0.89 MAOB (0.69) MAOBMAOAALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070032542-A1 Process for the preparation of enantiopure pyrrolidin-2-one derivatives IDING HANS 2007-02-08 — — US disclosed
US-7151111-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-19 — — US disclosed
US-7148362-B2 Process for the preparation of enantiopure pyrrolidin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-12 — — US disclosed
US-7122562-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-17 — — US disclosed
US-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide IDING HANS 2006-06-08 — — US disclosed
EP-1664323-A1 ENZYMATIC SYNTHESIS OF ENATIOPURE INTERMEDIATES BY MEANS OF CHOLESTEROLESTERASE FROM YEASTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 — — EP disclosed
US-7037935-B2 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-02 — — US disclosed
EP-1542970-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-22 — — EP disclosed
EP-1542969-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 2/4885ALDH1A1 556/4885
US-20060122235-A1 Amine oxidase inhibitor; use in treating Alzheimer's disease; for example, (RS)-1-[6-(4-fluoro-benzyloxy)-pyridin-3-yl]-5-oxo-pyrrolidine-3-carboxylic acid methylamide MAOA, MAOB, PNPO MAOB 2/4885MAOA 1/4885ALDH1A1 385/4885
US-20050065204-A1 Process for the preparation of enantiopure pyrrolidin-2-one derivatives MAOB, MAOA, CYP1B1 MAOB 1/4885MAOA 2/4885ALDH1A1 249/4885
US-20070032542-A1 Process for the preparation of enantiopure pyrrolidin-2-one derivatives MAOB, MAOA, CYP1B1 MAOB 1/4885MAOA 2/4885ALDH1A1 249/4885

“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.