SCHEMBL6592801

SCHEMBL6592801

CCOC(=O)C1CCN(C(C)=O)C1c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
LGMN Q99538 1/20 0.38
PPIB P23284 1/20 0.38
SHMT2 P34897 1/20 0.37
PKM P14618 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
MDM2 Q00987 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6595196 0.85 CNR2 (0.42) PKMMAPTMEN1KMT2AMDM2
SCHEMBL6590244 0.83 MAPT (0.54) LMNAPKMMAPTMEN1KMT2A
SCHEMBL18532593 0.78 CNR2 (0.46) MEN1KMT2AHTTCNR2ALDH1A1
SCHEMBL20426003 0.78 CNR2 (0.46) MEN1KMT2AHTTCNR2ALDH1A1
SCHEMBL2564896 0.78 CNR2 (0.46) MEN1KMT2AHTTCNR2ALDH1A1
SCHEMBL2583648 0.78 CNR2 (0.46) MEN1KMT2AHTTCNR2ALDH1A1
SCHEMBL2582573 0.74 CNR2 (0.43) PPIBMEN1KMT2AMAPK1HTT
SCHEMBL30495338 0.74 CNR2 (0.43) PPIBMEN1KMT2AMAPK1HTT
SCHEMBL18790107 0.74 CNR2 (0.43) PPIBMEN1KMT2AMAPK1HTT
SCHEMBL18532605 0.74 CNR2 (0.43) PPIBMEN1KMT2AMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189883-B1 SUBSTITUTED PYRROLIDINES AS CELL ADHESION INHIBITORS AVENTIS PHARMA LTD (GB) 2004-11-03 EP disclosed
US-6548533-B2 Pyrrolidine carboxylic Acid or ester derivatives are useful for treating alpha 4 beta 1 mediated cell adhesion AVENTIS PHARMA LIMITED (GB) 2003-04-15 US disclosed
US-20020094994-A1 Substituted pyrrolidines AVENTIS PHARMA LIMITED (GB) 2002-07-18 US disclosed
EP-1189883-A2 SUBSTITUTED PYRROLIDINES AS CELL ADHESION INHIBITORS Aventis Pharma Limited (GB) 2002-03-27 EP disclosed
WO-2000068195-A2 SUBSTITUTED PYRROLIDINES AS CELL ADHESION INHIBITORS AVENTIS PHARMA LIMITED (GB) 2000-11-16 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-20020094994-A1 Substituted pyrrolidines VCAM1, ITGB1, ITGA1 LMNA 2483/4885CYP1A2 454/4885CYP3A4 149/4885

“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.