SCHEMBL6594128

SCHEMBL6594128

CCOC(=O)C1CN(Cc2ccccc2)CC1c1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.53
USP30 Q70CQ3 1/20 0.49
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
SLC18A2 Q05940 3/20 0.45
SLC6A3 Q01959 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL3449300 0.92 RORC (0.55) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL5839366 0.92 RORC (0.55) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL7887604 0.92 RORC (0.55) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL1891481 0.91 RORC (0.55) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL21892098 0.90 RORC (0.54) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL3025628 0.90 RORC (0.54) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL5097184 0.90 RORC (0.54) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL2780389 0.90 RORC (0.54) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL5097178 0.90 RORC (0.54) RORCUSP30CHRM2CHRM4CHRM5
SCHEMBL2782549 0.89 SLC18A2 (0.53) RORCUSP30CHRM2CHRM4CHRM5

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 RORC 352/4885USP30 4717/4885CHRM2 415/4885

“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.