SCHEMBL2572172

SCHEMBL2572172

CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2)on1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.53
CNR1 P21554 5/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK14 Q16539 3/20 0.45

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
SCHEMBL13257169 0.96 CNR2 (0.53) CNR2CNR1ALDH1A1CYP2C8CYP2C9
SCHEMBL9892838 0.94 ALDH1A1 (0.56) CNR2CNR1ALDH1A1CYP2C8CYP2C9
SCHEMBL9893144 0.83 MAPK14 (0.46) CNR2CNR1MAPK14
SCHEMBL9893147 0.79 CNR2 (0.53) CNR2CNR1ALDH1A1CYP2C8CYP2C9
SCHEMBL2567009 0.79 CNR2 (0.52) CNR2CNR1ALDH1A1CYP2C8CYP2C9
SCHEMBL9892286 0.79 CNR2 (0.53) CNR2CNR1ALDH1A1CYP2C8CYP2C9
SCHEMBL9892840 0.79 CNR2 (0.57) CNR2CNR1ALDH1A1
SCHEMBL13284926 0.79 NPC1 (0.60) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL2569404 0.79 NPC1 (0.60) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL13257172 0.78 CNR2 (0.49) CNR2ALDH1A1CYP2C9MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
EP-2384320-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-11-09 EP disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885ALDH1A1 3279/4885

“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.