SCHEMBL5567018

SCHEMBL5567018

CC(C)(C)OC(=O)NC1CCN(c2ccc(OCc3cccc(F)c3)cc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.57
MAOA P21397 6/20 0.57
MMP1 P03956 3/20 0.52
ROCK2 O75116 1/20 0.45
GRM5 P41594 1/20 0.45
F10 P00742 1/20 0.45
ADAM17 P78536 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
SCN9A Q15858 1/20 0.44
NR4A2 P43354 1/20 0.43
PARP10 Q53GL7 1/20 0.43
CHRM4 P08173 1/20 0.42
KDM1A O60341 1/20 0.42
LIPE Q05469 1/20 0.42

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
SCHEMBL5567015 1.00 MAOB (0.57) MAOBMAOAMMP1ROCK2GRM5
SCHEMBL3503668 0.91 MAOB (0.58) MAOBMAOAMMP1ROCK2F10
SCHEMBL3503662 0.91 MAOB (0.58) MAOBMAOAMMP1ROCK2F10
SCHEMBL5569247 0.89 MMP1 (0.53) MAOBMAOAMMP1ADAM17MMP2
SCHEMBL5569242 0.89 MMP1 (0.53) MAOBMAOAMMP1ADAM17MMP2
SCHEMBL5569344 0.89 MMP1 (0.54) MMP1ADAM17MMP2MMP9LIPE
SCHEMBL5569337 0.89 MMP1 (0.54) MMP1ADAM17MMP2MMP9LIPE
SCHEMBL5566737 0.88 MMP1 (0.53) MAOBMAOAMMP1ROCK2ADAM17
SCHEMBL5566743 0.88 MMP1 (0.53) MAOBMAOAMMP1ROCK2ADAM17
SCHEMBL3505027 0.88 MAOB (0.67) MAOBMAOAROCK2F10NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235581-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US 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 2/4885MMP1 1459/4885

“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.