SCHEMBL9892973

SCHEMBL9892973

CCC1CCC(=O)N1c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
POLB P06746 1/20 0.43
CNR2 P34972 1/20 0.43
HTR7 P34969 1/20 0.41
PTGER2 P43116 7/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 2/20 0.40
CYP11B2 P19099 1/20 0.40
GRM2 Q14416 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
PTGDR Q13258 3/20 0.38
P2RX7 Q99572 1/20 0.36
CYP2A6 P11509 1/20 0.36
KCNA5 P22460 1/20 0.36

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
SCHEMBL12487339 0.85 CNR2 (0.45) ELANEPOLBCNR2HTR7PTGER2
SCHEMBL9893103 0.83 NSD2 (0.45) GRM2KCNA5
SCHEMBL16480373 0.80 POLB (0.46) ELANEPOLBCNR2HTR7CYP11B2
SCHEMBL9893023 0.80 PER2 (0.46) CNR2HTR7PTGER2PTGER3PTGDR
SCHEMBL9893157 0.80 PTGER2 (0.42) PTGER2PTGER4PTGER3PTGDR
SCHEMBL9892975 0.80 PTGER2 (0.44) PTGER2PTGER4PTGER3PTGDRP2RX7
SCHEMBL9892976 0.78 PTGER2 (0.41) PTGER2PTGER4PTGER3PTGDR
SCHEMBL9892982 0.77 PTGS2 (0.44) CNR2PTGER2PTGER4PTGER3PTGDR
SCHEMBL9892985 0.77 PTGER2 (0.48) CNR2PTGER2PTGER3GRM2PTGDR
SCHEMBL9891733 0.77 CNR2 (0.47) ELANEPOLBCNR2HTR7PTGER2

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
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP 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 ELANE 2784/4885POLB 2879/4885CNR2 1/4885

“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.