SCHEMBL5566768

SCHEMBL5566768

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.48
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
ADAM17 P78536 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
LIPE Q05469 3/20 0.44
SCN9A Q15858 3/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
FPR2 P25090 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 1/20 0.38
RORC P51449 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
SCHEMBL5566764 1.00 MMP1 (0.48) MMP1HPGDPOLBADAM17MMP2
SCHEMBL5570401 0.87 MAOA (0.48) HPGDPOLBADAM17MMP2MMP9
SCHEMBL5570398 0.87 MAOA (0.48) HPGDPOLBADAM17MMP2MMP9
SCHEMBL5567018 0.86 MAOB (0.57) MMP1ADAM17MMP2MMP9LIPE
SCHEMBL5567015 0.86 MAOB (0.57) MMP1ADAM17MMP2MMP9LIPE
SCHEMBL5569247 0.86 MMP1 (0.53) MMP1POLBADAM17MMP2MMP9
SCHEMBL5569242 0.86 MMP1 (0.53) MMP1POLBADAM17MMP2MMP9
SCHEMBL5569344 0.85 MMP1 (0.54) MMP1ADAM17MMP2MMP9LIPE
SCHEMBL5569337 0.85 MMP1 (0.54) MMP1ADAM17MMP2MMP9LIPE
SCHEMBL5566743 0.85 MMP1 (0.53) MMP1POLBADAM17MMP2MMP9

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 1459/4885HPGD 94/4885POLB 87/4885

“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.