SCHEMBL3366014

SCHEMBL3366014

COC(=O)C1CC(=O)N(c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
KMT2A Q03164 1/20 0.58
MAOB P27338 3/20 0.55
MAOA P21397 1/20 0.55
S1PR1 P21453 3/20 0.55
S1PR5 Q9H228 3/20 0.55
PDGFRA P16234 2/20 0.55
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 1/20 0.52
NR4A2 P43354 1/20 0.51
PIM1 P11309 1/20 0.50
PRKD3 O94806 1/20 0.50
CDK7 P50613 1/20 0.50
JAK3 P52333 1/20 0.50
TNK2 Q07912 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
SCHEMBL3366020 1.00 ALDH1A1 (0.61) ALDH1A1GAASMN1; SMN2MEN1USP2
SCHEMBL3365465 0.90 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MEN1USP2KMT2A
SCHEMBL3365460 0.90 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MEN1USP2KMT2A
SCHEMBL3365969 0.88 ALDH1A1 (0.60) ALDH1A1GAASMN1; SMN2MEN1USP2
SCHEMBL3365975 0.88 ALDH1A1 (0.60) ALDH1A1GAASMN1; SMN2MEN1USP2
SCHEMBL3365392 0.87 MAOB (0.71) ALDH1A1GAAMEN1USP2KMT2A
SCHEMBL3368602 0.87 MAOB (0.71) ALDH1A1GAAMEN1USP2KMT2A
SCHEMBL3363902 0.87 MAOB (0.71) ALDH1A1GAAMEN1USP2KMT2A
SCHEMBL6028080 0.87 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2USP2KMT2A
SCHEMBL6028083 0.87 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2USP2KMT2A

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 ALDH1A1 556/4885GAA 80/4885SMN1; SMN2 899/4885
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 ALDH1A1 385/4885GAA 682/4885SMN1; SMN2 1050/4885

“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.