SCHEMBL9893014

SCHEMBL9893014

CC1CCC(=O)N1c1ccc(C#N)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP11B2 P19099 2/20 0.44
GPR119 Q8TDV5 1/20 0.43
GRM5 P41594 9/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
HSD11B1 P28845 1/20 0.38
PANK3 Q9H999 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL9891781 0.83 CNR1 (0.50) CNR1CNR2KDM4EALDH1A1L3MBTL1
SCHEMBL9103419 0.80 CNR2 (0.57) CNR1CNR2KDM4EALDH1A1L3MBTL1
SCHEMBL16480457 0.80 NPC1 (0.45) CNR1CNR2ALDH1A1GPR119
SCHEMBL20391087 0.80 HRH3 (0.40) PANK3
SCHEMBL9893029 0.78 GAA (0.44) CNR2KDM4EALDH1A1GPR119
SCHEMBL9893027 0.78 GRM5 (0.42) GPR119GRM5PDK1PDK2
SCHEMBL13285315 0.78 GRIN2D (0.38) CNR1CNR2GRM5
SCHEMBL16480373 0.78 POLB (0.46) CNR2KDM4EALDH1A1CYP11B2
SCHEMBL16480490 0.77 HRH3 (0.40) KDM4EALDH1A1L3MBTL1GRM5
SCHEMBL9892997 0.75 MAPT (0.51) CNR1CNR2KDM4EALDH1A1L3MBTL1

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 CNR1 2/4885CNR2 1/4885KDM4E 2527/4885

“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.