SCHEMBL3365091

SCHEMBL3365091

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CA6 P23280 1/20 0.50
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 2/20 0.48
GRK2 P25098 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL3365914 1.00 TSHR (0.57) TSHRKMT2AMEN1MAPTGAA
SCHEMBL3365085 1.00 TSHR (0.57) TSHRKMT2AMEN1MAPTGAA
SCHEMBL3365315 0.88 TSHR (0.61) TSHRKMT2AMEN1MAPTCA12
SCHEMBL3365304 0.88 TSHR (0.61) TSHRKMT2AMEN1MAPTCA12
SCHEMBL3365311 0.88 TSHR (0.61) TSHRKMT2AMEN1MAPTCA12
SCHEMBL3365073 0.87 TSHR (0.59) TSHRKMT2AMEN1MAPTGAA
SCHEMBL3365067 0.87 TSHR (0.59) TSHRKMT2AMEN1MAPTGAA
SCHEMBL3365076 0.87 TSHR (0.59) TSHRKMT2AMEN1MAPTGAA
SCHEMBL3365330 0.84 TP53 (0.57) TSHRMAPTGAAALDH1A1POLB
SCHEMBL3365332 0.84 TP53 (0.57) TSHRMAPTGAAALDH1A1POLB

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 8 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-7151111-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-19 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-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

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 TSHR 3944/4885KMT2A 1205/4885MEN1 4505/4885
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 TSHR 2304/4885KMT2A 606/4885MEN1 3745/4885

“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.