SCHEMBL9891996

SCHEMBL9891996

O=C(Nc1cc(C(F)(F)F)ccn1)[C@@H]1C[C@@H](O)CN1CC1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.56
USP30 Q70CQ3 1/20 0.46
MAP3K12 Q12852 7/20 0.44
CNR1 P21554 2/20 0.44
RIPK3 Q9Y572 1/20 0.39
MAPK8 P45983 2/20 0.39
MAPK10 P53779 2/20 0.39
MAPK14 Q16539 2/20 0.39
CDK9 P50750 1/20 0.39
IDH2 P48735 2/20 0.38
BRAF P15056 1/20 0.38
SLC5A1 P13866 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
SCHEMBL9891995 0.86 CNR2 (0.54) CNR2CNR1
SCHEMBL9892147 0.85 CNR2 (0.61) CNR2USP30MAP3K12CNR1RIPK3
SCHEMBL13257772 0.84 CNR2 (0.62) CNR2USP30MAP3K12CNR1CDK9
SCHEMBL9891986 0.84 CNR2 (0.57) CNR2CNR1RIPK3MAPK8MAPK10
SCHEMBL9892060 0.77 CNR2 (0.82) CNR2CNR1
SCHEMBL9891982 0.77 CNR2 (0.54) CNR2CNR1IDH2
SCHEMBL9891979 0.77 CNR2 (0.54) CNR2CNR1
SCHEMBL2567992 0.77 CNR2 (0.54) CNR2CNR1
SCHEMBL2576705 0.76 CNR2 (0.74) CNR2CNR1
SCHEMBL9892154 0.74 CNR2 (0.58) CNR2USP30MAP3K12CNR1MAPK8

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 1/4885USP30 3438/4885MAP3K12 1601/4885

“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.