SCHEMBL9892353

SCHEMBL9892353

CC(=O)N1CCC(NC(=O)C(C)(C)C)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
EPHX2 P34913 13/20 0.61
EPHX1 P07099 4/20 0.59
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL17034791 0.89 ALDH1A1 (0.61) ALDH1A1EPHX2EPHX1LMNANPSR1
SCHEMBL12136850 0.84 EPHX2 (0.57) ALDH1A1EPHX2EPHX1
SCHEMBL23059414 0.81 ALDH1A1 (0.50) ALDH1A1EPHX2EPHX1LMNANPSR1
SCHEMBL12612604 0.81 ALDH1A1 (0.64) ALDH1A1LMNANPSR1CA12CA1
SCHEMBL4925631 0.81 EPHX2 (0.69) ALDH1A1EPHX2EPHX1
SCHEMBL9893075 0.80 EPHX2 (0.67) EPHX2EPHX1
SCHEMBL10200817 0.80 EPHX1 (0.68) ALDH1A1EPHX2EPHX1LMNANPSR1
SCHEMBL4087474 0.80 ALDH1A1 (0.60) ALDH1A1EPHX2EPHX1LMNANPSR1
SCHEMBL21100016 0.80 ALDH1A1 (0.60) ALDH1A1EPHX2EPHX1LMNANPSR1
SCHEMBL14263081 0.79 ALDH1A1 (0.62) ALDH1A1EPHX2EPHX1LMNANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 3279/4885EPHX2 2014/4885EPHX1 1834/4885

“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.