SCHEMBL9891733

SCHEMBL9891733

CC(C)(C)C1CCC(=O)N1c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
POLB P06746 1/20 0.43
HTR7 P34969 1/20 0.41
CYP11B2 P19099 1/20 0.40
ELANE P08246 1/20 0.37
HRH3 Q9Y5N1 5/20 0.36
KCNH2 Q12809 1/20 0.36
CNR1 P21554 1/20 0.36
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL9891737 0.83 NSD2 (0.45) CNR2KCNH2
SCHEMBL9891746 0.80 CNR2 (0.45) CNR2POLBHTR7PTGER3PTGER2
SCHEMBL16480373 0.80 POLB (0.46) CNR2POLBHTR7CYP11B2ELANE
SCHEMBL9891736 0.80 ALDH1A1 (0.41) PTGER3PTGER2
SCHEMBL9891747 0.78 CNR2 (0.47) CNR2HTR7CNR1PTGER3PTGER2
SCHEMBL9891743 0.78 PTGER2 (0.36) CNR2CNR1PTGER3PTGER2
SCHEMBL9891735 0.77 CNR2 (0.48) CNR2
SCHEMBL9892973 0.77 ELANE (0.43) CNR2POLBHTR7CYP11B2ELANE
SCHEMBL24717003 0.73 HDAC1 (0.40) CNR2
SCHEMBL9109050 0.73 CNR2 (0.53) CNR2POLBHTR7CYP11B2CNR1

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-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

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 1/4885POLB 2879/4885HTR7 314/4885

“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.