SCHEMBL3365323

SCHEMBL3365323

COc1cccc(/C=C/c2ccc(N3CC(C(=O)O)CC3=O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
POLB P06746 2/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
CYP19A1 P11511 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL3365330 1.00 TP53 (0.57) TP53POLBMAPTALDH1A1CYP1A2
SCHEMBL3365332 1.00 TP53 (0.57) TP53POLBMAPTALDH1A1CYP1A2
SCHEMBL3366075 0.90 ALDH1A1 (0.57) TP53POLBMAPTALDH1A1CYP1A2
SCHEMBL3367225 0.90 ALDH1A1 (0.57) TP53POLBMAPTALDH1A1CYP1A2
SCHEMBL3366074 0.90 ALDH1A1 (0.57) TP53POLBMAPTALDH1A1CYP1A2
SCHEMBL3367953 0.90 MEN1 (0.57) MAPTALDH1A1CYP2C9TSHRGAA
SCHEMBL3367954 0.90 MEN1 (0.57) MAPTALDH1A1CYP2C9TSHRGAA
SCHEMBL3367948 0.90 MEN1 (0.57) MAPTALDH1A1CYP2C9TSHRGAA
SCHEMBL3363224 0.88 POLB (0.58) TP53POLBMAPTALDH1A1CYP2C9
SCHEMBL3363231 0.88 POLB (0.58) TP53POLBMAPTALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542969-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-03-03 EP 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
US-7037935-B2 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-02 US disclosed
EP-1542969-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP disclosed
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-03 US 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 (2 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 TP53 3175/4885POLB 90/4885MAPT 44/4885
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 TP53 4218/4885POLB 368/4885MAPT 156/4885

“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.