SCHEMBL5566737

SCHEMBL5566737

CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(OCc3ccc(F)c(F)c3)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.53
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
ADAM17 P78536 2/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
LIPE Q05469 2/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
POLB P06746 2/20 0.39
PREP P48147 2/20 0.39
ROCK2 O75116 1/20 0.39
FPR2 P25090 1/20 0.38
MCHR1 Q99705 1/20 0.38
PPARA Q07869 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5566743 1.00 MMP1 (0.53) MMP1MAOAMAOBADAM17MMP2
SCHEMBL5569247 0.90 MMP1 (0.53) MMP1MAOAMAOBADAM17MMP2
SCHEMBL5569242 0.90 MMP1 (0.53) MMP1MAOAMAOBADAM17MMP2
SCHEMBL5567018 0.88 MAOB (0.57) MMP1MAOAMAOBADAM17MMP2
SCHEMBL5567015 0.88 MAOB (0.57) MMP1MAOAMAOBADAM17MMP2
SCHEMBL5566731 0.88 MAOA (0.51) MMP1MAOAMAOBADAM17MMP2
SCHEMBL5566738 0.88 MAOA (0.51) MMP1MAOAMAOBADAM17MMP2
SCHEMBL5569344 0.86 MMP1 (0.54) MMP1ADAM17MMP2MMP9LIPE
SCHEMBL5569337 0.86 MMP1 (0.54) MMP1ADAM17MMP2MMP9LIPE
SCHEMBL5566768 0.85 MMP1 (0.48) MMP1MAOAMAOBADAM17MMP2

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 MMP1 1459/4885MAOA 2/4885MAOB 1/4885

“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.