SCHEMBL9891981

SCHEMBL9891981

CC1CC(NC(=O)[C@@H]2C[C@@H](O)CN2CC2CCOCC2)CC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.47
LMNA P02545 1/20 0.43
PPP1CA P62136 1/20 0.43
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
CFD P00746 3/20 0.33
CPB2 Q96IY4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GBA1 P04062 1/20 0.32
CNR1 P21554 3/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL9891998 1.00 CNR2 (0.47) CNR2LMNAPPP1CAHSD11B1ALDH1A1
SCHEMBL13284762 0.84 HSD11B1 (0.57) CNR2LMNAPPP1CAHSD11B1ALDH1A1
SCHEMBL9891991 0.78 CNR2 (0.54) CNR2HSD11B1ALDH1A1KDM4EGBA1
SCHEMBL9892004 0.78 CNR2 (0.54) CNR2HSD11B1ALDH1A1KDM4EGBA1
SCHEMBL9891988 0.72 CNR2 (0.54) CNR2HSD11B1ALDH1A1GBA1CNR1
SCHEMBL3701885 0.71 CNR2 (0.50) CNR2HSD11B1KDM4EGBA1CNR1
SCHEMBL3709792 0.71 CNR2 (0.50) CNR2HSD11B1KDM4EGBA1CNR1
SCHEMBL9891983 0.71 CNR2 (0.54) CNR2LMNAHSD11B1ALDH1A1KDM4E
SCHEMBL13285011 0.70 CNR2 (0.49) CNR2HSD11B1GBA1CNR1
SCHEMBL9891989 0.68 CNR2 (0.51) CNR2HSD11B1ALDH1A1KDM4ECNR1

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-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
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 1/4885LMNA 4696/4885PPP1CA 2455/4885

“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.