SCHEMBL9891982

SCHEMBL9891982

O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@@H]1C[C@@H](O)CN1CC1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.54
AKT1 P31749 1/20 0.40
MCHR1 Q99705 1/20 0.39
EPHX2 P34913 2/20 0.39
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
CNR1 P21554 2/20 0.38
NPY5R Q15761 1/20 0.37
IDH2 P48735 3/20 0.37
AR P10275 1/20 0.37
MAPT P10636 2/20 0.37
CXCR3 P49682 1/20 0.37

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
SCHEMBL2567992 0.93 CNR2 (0.54) CNR2MCHR1EPHX2CNR1MAPT
SCHEMBL9891979 0.93 CNR2 (0.54) CNR2MCHR1EPHX2CNR1MAPT
SCHEMBL9891532 0.86 CNR2 (0.47) CNR2AKT1MCHR1EPHX2UBE2M
SCHEMBL13284758 0.85 CNR1 (0.55) CNR2AKT1MCHR1EPHX2UBE2M
SCHEMBL13257037 0.84 CNR1 (0.55) CNR2AKT1MCHR1EPHX2UBE2M
SCHEMBL9892801 0.79 EPHX2 (0.52) CNR2EPHX2CNR1
SCHEMBL13284761 0.77 CNR1 (0.55) CNR2EPHX2CNR1
SCHEMBL9891996 0.77 CNR2 (0.56) CNR2CNR1IDH2
SCHEMBL16254925 0.76 CNR1 (0.55) CNR2EPHX2CNR1
SCHEMBL13257044 0.76 CNR1 (0.55) CNR2EPHX2CNR1

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 1/4885AKT1 2870/4885MCHR1 293/4885

“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.