SCHEMBL6590244

SCHEMBL6590244

CCOC(=O)C1CCN(C(C)=O)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 3/20 0.46
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
CASP3 P42574 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
FKBP1A P62942 1/20 0.41

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
SCHEMBL6592801 0.83 LMNA (0.39) MAPTALDH1A1KMT2ALMNAPKM
SCHEMBL6592795 0.76 ALDH1A1 (0.49) MAPTALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL2576999 0.75 ALDH1A1 (0.55) MAPTALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL6596250 0.73 ALDH1A1 (0.48) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL3073603 0.72 TDP1 (0.44) MAPTALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL3087284 0.72 MAPT (0.44) MAPTALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL3073601 0.72 TDP1 (0.44) MAPTALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL3087288 0.72 MAPT (0.44) MAPTALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL3085773 0.72 MAPT (0.43) MAPTALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL3085774 0.72 MAPT (0.43) MAPTALDH1A1KMT2ASMN1; SMN2GAA

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 4820/4885ALDH1A1 438/4885KMT2A 3743/4885

“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.