SCHEMBL9891987

SCHEMBL9891987

O=C(Nc1nc(C2CCCCC2)cs1)[C@@H]1C[C@@H](O)CN1CC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.52
GCK P35557 1/20 0.42
RORC P51449 1/20 0.40
CNR1 P21554 2/20 0.40
ADORA1 P30542 4/20 0.39
TMIGD3 P0DMS9 3/20 0.39
SPHK1 Q9NYA1 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
ADORA2A P29274 2/20 0.36
RAB9A P51151 1/20 0.35
HSD11B1 P28845 1/20 0.34
TYR P14679 1/20 0.34
UCHL1 P09936 1/20 0.33

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
SCHEMBL9893021 1.00 CNR2 (0.52) CNR2GCKRORCCNR1ADORA1
SCHEMBL13257046 0.85 CNR2 (0.55) CNR2GCKRORCCNR1ADORA1
SCHEMBL9891985 0.83 CNR2 (0.69) CNR2GCKCNR1RAB9A
SCHEMBL9892000 0.83 CNR2 (0.69) CNR2GCKCNR1RAB9A
SCHEMBL2574437 0.81 KMT2A (0.53) CNR2GCKRAB9A
SCHEMBL13285327 0.77 SMN1; SMN2 (0.55) SPHK1SPHK2RAB9A
SCHEMBL9892003 0.75 CNR2 (0.52) CNR2GCKRAB9A
SCHEMBL9891990 0.75 CNR2 (0.52) CNR2GCKRAB9A
SCHEMBL9892825 0.75 CNR2 (0.50) CNR2GCKRORCCNR1ADORA1
SCHEMBL13256832 0.74 CNR2 (0.54) CNR2GCKRORCCNR1ADORA1

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 1/4885GCK 3603/4885RORC 222/4885

“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.