SCHEMBL6596250

SCHEMBL6596250

COC(=O)C1CCN(C(=O)c2ccccc2)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR5 P51681 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
SCHEMBL6592451 0.84 KMT2A (0.47) ALDH1A1KMT2APOLBTSHRRECQL
SCHEMBL5508290 0.77 LMNA (0.43) ALDH1A1MAPTLMNAMAPK1NPSR1
SCHEMBL5508296 0.77 LMNA (0.43) ALDH1A1MAPTLMNAMAPK1NPSR1
SCHEMBL6590244 0.73 MAPT (0.54) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL6595196 0.72 CNR2 (0.42) MAPTKMT2ATSHRRECQLSMN1; SMN2
SCHEMBL15962162 0.72 MAPT (0.52) ALDH1A1MAPTKMT2APOLBHTT
SCHEMBL6173457 0.72 MAPT (0.52) ALDH1A1MAPTKMT2APOLBHTT
SCHEMBL28408689 0.72 ALDH1A1 (0.54) ALDH1A1MAPTLMNAMAPK1NPSR1
SCHEMBL2993869 0.71 NR3C2 (0.48) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2993871 0.71 NR3C2 (0.48) ALDH1A1MAPTLMNASMN1; SMN2

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 ALDH1A1 438/4885MAPT 4820/4885LMNA 2483/4885

“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.