SCHEMBL3365121

SCHEMBL3365121

O=C(O)C1CC(=O)N(c2ccc(OCc3c(F)cc(F)cc3F)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.72
GLA P06280 1/20 0.62
FFAR1 O14842 1/20 0.61
POLB P06746 2/20 0.59
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
TSHR P16473 1/20 0.58
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.50
LMNA P02545 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
SCHEMBL3365116 1.00 HPGD (0.72) HPGDGLAFFAR1POLBRAB9A
SCHEMBL5806905 0.90 HPGD (0.88) HPGDGLAFFAR1POLBRAB9A
SCHEMBL3369202 0.90 HPGD (0.88) HPGDGLAFFAR1POLBRAB9A
SCHEMBL3369207 0.90 HPGD (0.88) HPGDGLAFFAR1POLBRAB9A
SCHEMBL3368888 0.88 ALDH1A1 (0.67) HPGDPOLBRAB9ANPC1TSHR
SCHEMBL3365369 0.88 ALDH1A1 (0.67) HPGDPOLBRAB9ANPC1TSHR
SCHEMBL3365361 0.88 ALDH1A1 (0.67) HPGDPOLBRAB9ANPC1TSHR
SCHEMBL3365519 0.87 ATM (0.61) HPGDPOLBRAB9ANPC1TSHR
SCHEMBL3365526 0.87 ATM (0.61) HPGDPOLBRAB9ANPC1TSHR
SCHEMBL3365233 0.87 ATM (0.61) HPGDPOLBRAB9ANPC1TSHR

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 151/4885GLA 133/4885FFAR1 3869/4885
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 352/4885GLA 459/4885FFAR1 1870/4885

“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.