SCHEMBL6594772

SCHEMBL6594772

CCOC(=O)C1CNCC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
PKM P14618 2/20 0.53
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.48
MAPK1 P28482 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GUSB P08236 1/20 0.43

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
SCHEMBL17485237 0.89 MAPT (0.56) MAPTPKMALDH1A1LMNAHTT
SCHEMBL2576999 0.84 ALDH1A1 (0.55) MAPTPKMALDH1A1LMNAHTT
SCHEMBL7902645 0.82 MAPT (0.57) MAPTPKMALDH1A1HTTKMT2A
SCHEMBL2196504 0.82 MAPT (0.57) MAPTPKMALDH1A1LMNAHTT
SCHEMBL2198604 0.82 MAPT (0.57) MAPTPKMALDH1A1LMNAHTT
SCHEMBL2196466 0.82 MAPT (0.57) MAPTPKMALDH1A1LMNAHTT
SCHEMBL7896524 0.82 MAPT (0.57) MAPTPKMALDH1A1HTTKMT2A
SCHEMBL7887174 0.81 MAPT (0.76) MAPTPKMALDH1A1LMNAHTT
SCHEMBL3552839 0.81 MAPT (0.76) MAPTPKMALDH1A1LMNAHTT
SCHEMBL26818738 0.81 MAPT (0.76) MAPTPKMALDH1A1LMNAHTT

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 MAPT 4820/4885PKM 4658/4885ALDH1A1 438/4885

“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.