SCHEMBL5569337

SCHEMBL5569337

CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(OCc3ccccc3)cc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.54
ADAM17 P78536 2/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
YAP1 P46937 3/20 0.45
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LIPE Q05469 2/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
PRMT5 O14744 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
SCHEMBL5569344 1.00 MMP1 (0.54) MMP1ADAM17MMP2MMP9YAP1
SCHEMBL5569242 0.90 MMP1 (0.53) MMP1ADAM17MMP2MMP9ALDH1A1
SCHEMBL5569247 0.90 MMP1 (0.53) MMP1ADAM17MMP2MMP9ALDH1A1
SCHEMBL5567018 0.89 MAOB (0.57) MMP1ADAM17MMP2MMP9LIPE
SCHEMBL5567015 0.89 MAOB (0.57) MMP1ADAM17MMP2MMP9LIPE
SCHEMBL3508151 0.86 MAOB (0.50) ADAM17MMP2MMP9KMT2AKDM4E
SCHEMBL3508153 0.86 MAOB (0.50) ADAM17MMP2MMP9KMT2AKDM4E
SCHEMBL7933692 0.86 FPR2 (0.54) KMT2AL3MBTL1
SCHEMBL7414725 0.86 FPR2 (0.54) KMT2AL3MBTL1
SCHEMBL7414726 0.86 FPR2 (0.54) KMT2AL3MBTL1

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 1459/4885ADAM17 1946/4885MMP2 289/4885

“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.