SCHEMBL6595892

SCHEMBL6595892

CCOC(=O)C1CN(C(C)=O)CC1c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PPIB P23284 1/20 0.39
▸ CASP6 P55212 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ MC4R P32245 1/20 0.37

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
SCHEMBL28932953 0.87 MAPT (0.53) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL7888936 0.87 MAPT (0.53) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6597766 0.85 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL6592432 0.84 TLR2 (0.44) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6592795 0.83 ALDH1A1 (0.49) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL17386220 0.79 CYP1A2 (0.47) LMNACYP1A2CYP3A4MAOAMAPT
SCHEMBL3741023 0.79 CYP1A2 (0.47) LMNACYP1A2CYP3A4MAOAMAPT
SCHEMBL3739339 0.79 CYP1A2 (0.47) LMNACYP1A2CYP3A4MAOAMAPT
SCHEMBL18831798 0.79 CYP1A2 (0.47) LMNACYP1A2CYP3A4MAOAMAPT
SCHEMBL5805888 0.77 MAPT (0.54) PDE4BPDE4APDE4CPDE4DMAPT

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 PDE4B 3593/4885PDE4A 3494/4885PDE4C 4056/4885

“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.

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