SCHEMBL3363231

SCHEMBL3363231

CNC(=O)C1CC(=O)N(c2ccc(C=Cc3cccc(OC)c3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
TSHR P16473 2/20 0.58
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL3363227 1.00 POLB (0.58) POLBTSHRMAPK1NPSR1L3MBTL1
SCHEMBL3363224 1.00 POLB (0.58) POLBTSHRMAPK1NPSR1L3MBTL1
SCHEMBL3368528 0.90 TSHR (0.64) POLBTSHRMAPK1L3MBTL1MAPT
SCHEMBL3368524 0.90 TSHR (0.64) POLBTSHRMAPK1L3MBTL1MAPT
SCHEMBL3368521 0.90 TSHR (0.64) POLBTSHRMAPK1L3MBTL1MAPT
SCHEMBL3367225 0.89 ALDH1A1 (0.57) POLBNPSR1TP53MAPTALDH1A1
SCHEMBL3366075 0.89 ALDH1A1 (0.57) POLBNPSR1TP53MAPTALDH1A1
SCHEMBL3366074 0.89 ALDH1A1 (0.57) POLBNPSR1TP53MAPTALDH1A1
SCHEMBL3365332 0.88 TP53 (0.57) POLBTSHRNPSR1TP53MAPT
SCHEMBL3365330 0.88 TP53 (0.57) POLBTSHRNPSR1TP53MAPT

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 10 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 claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
US-7037935-B2 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-02 US claimed
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-03 US claimed
EP-1542969-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-03-03 EP disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 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
US-7037935-B2 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-02 US disclosed
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-03 US 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 POLB 1237/4885TSHR 880/4885MAPK1 1645/4885
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT POLB 90/4885TSHR 3944/4885MAPK1 1455/4885
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 POLB 368/4885TSHR 2304/4885MAPK1 982/4885

“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.