SCHEMBL3365635

SCHEMBL3365635

O=C(O)[C@H]1CC(=O)N(c2ccc(CCc3cccc(Cl)c3)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
FFAR1 O14842 1/20 0.55
TSHR P16473 1/20 0.54
GLA P06280 1/20 0.53
PTPN1 P18031 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ENPP2 Q13822 1/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
GRK2 P25098 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
SCHEMBL3365630 1.00 HPGD (0.55) HPGDFFAR1TSHRGLAPTPN1
SCHEMBL3365258 0.88 NPC1 (0.59) HPGDFFAR1TSHRGLAPTPN1
SCHEMBL3365252 0.88 NPC1 (0.59) HPGDFFAR1TSHRGLAPTPN1
SCHEMBL6027834 0.87 ALDH1A1 (0.56) HPGDTSHRCA12CA1CA2
SCHEMBL3367217 0.87 TSHR (0.59) TSHRENPP2POLBKMT2AMEN1
SCHEMBL3365078 0.87 TSHR (0.59) TSHRENPP2POLBKMT2AMEN1
SCHEMBL3365933 0.87 ALDH1A1 (0.56) HPGDTSHRCA12CA1CA2
SCHEMBL3365697 0.86 TSHR (0.57) HPGDTSHRGLAPTPN1CA12
SCHEMBL3365703 0.86 TSHR (0.57) HPGDTSHRGLAPTPN1CA12
SCHEMBL3365746 0.84 HPGD (0.71) HPGDFFAR1GLAPOLBKMT2A

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 HPGD 151/4885FFAR1 3869/4885TSHR 3944/4885
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 HPGD 352/4885FFAR1 1870/4885TSHR 2304/4885

“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.