SCHEMBL9891995

SCHEMBL9891995

O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1C[C@@H](O)CN1CC1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.54
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
PRKCB P05771 1/20 0.43
DEGS1 O15121 1/20 0.43
CNR1 P21554 5/20 0.42
NPY5R Q15761 1/20 0.42
EPHX2 P34913 1/20 0.39
PDE10A Q9Y233 1/20 0.38
PTGS1 P23219 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FPR2 P25090 3/20 0.38
FPR1 P21462 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
SCHEMBL9891996 0.86 CNR2 (0.56) CNR2CNR1
SCHEMBL9892166 0.85 CNR2 (0.60) CNR2HIF1AEPAS1PRKCBDEGS1
SCHEMBL13256786 0.84 CNR2 (0.60) CNR2HIF1AEPAS1DEGS1CNR1
SCHEMBL9892060 0.76 CNR2 (0.82) CNR2CNR1EPHX2
SCHEMBL2570675 0.76 CNR2 (0.52) CNR2HIF1AEPAS1DEGS1CNR1
SCHEMBL9891982 0.76 CNR2 (0.54) CNR2CNR1NPY5REPHX2
SCHEMBL2567992 0.76 CNR2 (0.54) CNR2CNR1EPHX2
SCHEMBL9891979 0.76 CNR2 (0.54) CNR2CNR1EPHX2
SCHEMBL9891986 0.76 CNR2 (0.57) CNR2CNR1
SCHEMBL2576705 0.75 CNR2 (0.74) CNR2CNR1NPC1

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 1/4885HIF1A 578/4885EPAS1 927/4885

“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.