SCHEMBL5570401

SCHEMBL5570401

CC(=O)NC1CCN(c2ccc(OCc3c(F)cccc3F)cc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.47
ADAM17 P78536 5/20 0.42
MMP2 P08253 2/20 0.42
FPR2 P25090 2/20 0.42
ROCK2 O75116 6/20 0.41
MMP9 P14780 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5570398 1.00 MAOA (0.48) MAOAMAOBHPGDPOLBADAM17
SCHEMBL5566764 0.87 MMP1 (0.48) MAOAMAOBHPGDPOLBADAM17
SCHEMBL5566768 0.87 MMP1 (0.48) MAOAMAOBHPGDPOLBADAM17
SCHEMBL3505027 0.85 MAOB (0.67) MAOAMAOBROCK2
SCHEMBL3650572 0.85 MAOB (0.67) MAOAMAOBROCK2
SCHEMBL3505025 0.85 MAOB (0.67) MAOAMAOBROCK2
SCHEMBL5570357 0.84 NPC1 (0.52) MAOAMAOBPOLBFPR2
SCHEMBL5569961 0.84 NPC1 (0.52) MAOAMAOBPOLBFPR2
SCHEMBL3508153 0.84 MAOB (0.50) MAOAMAOBADAM17MMP2FPR2
SCHEMBL3508151 0.84 MAOB (0.50) MAOAMAOBADAM17MMP2FPR2

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-1542971-A1 4-PYRROLIDINO-PHENYL-BENZYL ETHER DERIVATIVES F. Hoffmann-La Roche Ltd. (CH) 2005-06-22 EP claimed
WO-2004026826-A1 4-PYRROLIDINO-PHENYL-BENZYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO claimed
US-7235581-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
EP-1542971-A1 4-PYRROLIDINO-PHENYL-BENZYL ETHER DERIVATIVES F. Hoffmann-La Roche Ltd. (CH) 2005-06-22 EP disclosed
US-20040097578-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-05-20 US disclosed
WO-2004026826-A1 4-PYRROLIDINO-PHENYL-BENZYL ETHER DERIVATIVES 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 (1 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-20040097578-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT MAOA 2/4885MAOB 1/4885HPGD 94/4885

“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.