SCHEMBL9892153

SCHEMBL9892153

O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCN1C1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.57
CNR1 P21554 9/20 0.57
FPR2 P25090 3/20 0.50
FPR1 P21462 1/20 0.50
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
DEGS1 O15121 1/20 0.48

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
SCHEMBL9892154 0.84 CNR2 (0.58) CNR2CNR1
SCHEMBL9892166 0.83 CNR2 (0.60) CNR2CNR1FPR2FPR1HIF1A
SCHEMBL13256786 0.80 CNR2 (0.60) CNR2CNR1FPR2FPR1HIF1A
SCHEMBL9893097 0.78 CNR2 (0.72) CNR2CNR1DEGS1
SCHEMBL9893051 0.78 CNR2 (0.72) CNR2CNR1DEGS1
SCHEMBL2568102 0.78 CNR2 (0.65) CNR2CNR1FPR2FPR1DEGS1
SCHEMBL9893136 0.78 CNR2 (0.65) CNR2CNR1FPR2FPR1DEGS1
SCHEMBL9893094 0.78 CNR2 (0.72) CNR2CNR1DEGS1
SCHEMBL9105614 0.75 NPC1 (0.57) CNR2CNR1DEGS1
SCHEMBL9105606 0.75 NPC1 (0.57) CNR2CNR1DEGS1

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 1/4885CNR1 2/4885FPR2 203/4885

“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.