SCHEMBL3365402

SCHEMBL3365402

CNC(=O)C1CC(=O)N(c2ccc(OCc3ccc(F)c(F)c3F)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
HPGD P15428 2/20 0.54
FFAR1 O14842 1/20 0.54
POLB P06746 2/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3365408 1.00 TSHR (0.56) TSHRMAPK1RAB9ANPC1HPGD
SCHEMBL3368700 0.90 HPGD (0.60) TSHRMAPK1RAB9ANPC1HPGD
SCHEMBL3368692 0.90 HPGD (0.60) TSHRMAPK1RAB9ANPC1HPGD
SCHEMBL3366093 0.89 ALDH1A1 (0.66) TSHRRAB9ANPC1HPGDFFAR1
SCHEMBL3366087 0.89 ALDH1A1 (0.66) TSHRRAB9ANPC1HPGDFFAR1
SCHEMBL3366492 0.87 TSHR (0.57) TSHRMAPK1RAB9ANPC1HPGD
SCHEMBL3367994 0.87 HPGD (0.61) TSHRMAPK1RAB9ANPC1HPGD
SCHEMBL3366484 0.87 TSHR (0.57) TSHRMAPK1RAB9ANPC1HPGD
SCHEMBL3368001 0.87 HPGD (0.61) TSHRMAPK1RAB9ANPC1HPGD
SCHEMBL3366545 0.85 NPC1 (0.61) TSHRMAPK1RAB9ANPC1POLB

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 16 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
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-7037935-B2 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-02 US claimed
EP-1542969-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP claimed
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-03 US claimed
WO-2004026827-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO 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
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO 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 (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 TSHR 880/4885MAPK1 1645/4885RAB9A 3058/4885
US-20040106650-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT TSHR 3944/4885MAPK1 1455/4885RAB9A 1750/4885
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 2304/4885MAPK1 982/4885RAB9A 1847/4885

“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.