SCHEMBL5535678

SCHEMBL5535678

O=C1CCCN1c1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.56
MAOA P21397 5/20 0.56
KCNH2 Q12809 1/20 0.55
MCHR1 Q99705 1/20 0.55
NR4A2 P43354 1/20 0.54
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PARP10 Q53GL7 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
GRM5 P41594 1/20 0.48
HPD P32754 1/20 0.47

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
SCHEMBL3364915 0.94 MAOB (0.56) MAOBMAOAKCNH2MCHR1NR4A2
SCHEMBL5569349 0.84 SMN1; SMN2 (0.55) MAOBMAOAKCNH2MCHR1NR4A2
SCHEMBL6440052 0.84 FFAR1 (0.45) MAOBMAOAKCNH2MCHR1NPC1
SCHEMBL28570818 0.83 MAOB (0.56) MAOBMAOAKCNH2SMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL6438339 0.83 FFAR1 (0.45) MAOBMAOAKCNH2MCHR1NPC1
SCHEMBL8413976 0.79 MAOB (0.51) MAOBMAOAKCNH2MCHR1NR4A2
SCHEMBL5570260 0.78 MAOB (0.55) MAOBMAOAKCNH2MCHR1NR4A2
SCHEMBL3367221 0.78 MAOB (0.67) MAOBMAOAKCNH2MCHR1NR4A2
SCHEMBL4087489 0.78 MAOB (0.55) MAOBMAOAKCNH2MCHR1NR4A2
SCHEMBL2441820 0.78 MAOB (0.67) MAOBMAOAKCNH2MCHR1NR4A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100383118-C 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN LA ROCHE (CH) 2008-04-23 CN disclosed
US-7235581-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US disclosed
EP-1776337-A2 BENZYLOXY DERIVATIVES AS MAOB INHIBITORS F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
WO-2006013049-A2 BENZYLOXY DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed
CN-1681779-A 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN LA ROCHE (CH) 2005-10-12 CN 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 MAOB 1/4885MAOA 2/4885KCNH2 2844/4885

“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.