SCHEMBL9892285

SCHEMBL9892285

O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@@H](O)CN1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.63
SMN1; SMN2 Q16637 6/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TP53 P04637 2/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
LMNA P02545 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL9892835 0.83 ADORA3 (0.67) ADORA3SMN1; SMN2L3MBTL1TP53ALOX15
SCHEMBL13257168 0.79 ADORA3 (0.68) ADORA3SMN1; SMN2L3MBTL1TP53ALOX15
SCHEMBL13257010 0.79 ADORA3 (0.68) ADORA3SMN1; SMN2L3MBTL1TP53ALOX15
SCHEMBL21585402 0.75 DPP4 (0.56) SMN1; SMN2L3MBTL1TP53NPC1RAB9A
SCHEMBL21585407 0.75 DPP4 (0.56) SMN1; SMN2L3MBTL1TP53NPC1RAB9A
SCHEMBL24322672 0.75 DPP4 (0.56) SMN1; SMN2L3MBTL1TP53NPC1RAB9A
SCHEMBL9852174 0.74 ADORA3 (0.77) ADORA3SMN1; SMN2L3MBTL1TP53NPC1
SCHEMBL9892288 0.74 ALDH1A1 (0.57) SMN1; SMN2MAPK1HSD17B10MEN1KMT2A
SCHEMBL16254958 0.72 SMN1; SMN2 (1.00) ADORA3SMN1; SMN2L3MBTL1TP53ALOX15
SCHEMBL29530821 0.72 ADORA3 (1.00) ADORA3SMN1; SMN2L3MBTL1TP53NPC1

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 5 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
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO 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 ADORA3 215/4885SMN1; SMN2 4659/4885L3MBTL1 4514/4885

“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.