SCHEMBL9891812

SCHEMBL9891812

COc1ccc(-c2nsc(NC(=O)C(C)C)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.74
SMN1; SMN2 Q16637 5/20 0.71
MEN1 O00255 2/20 0.71
NPC1 O15118 2/20 0.71
LMNA P02545 2/20 0.71
RAB9A P51151 2/20 0.71
KMT2A Q03164 2/20 0.71
MAPT P10636 11/20 0.66
TP53 P04637 5/20 0.66
RXFP1 Q9HBX9 2/20 0.60
THRB P10828 1/20 0.54
ATAD2 Q6PL18 1/20 0.52

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
SCHEMBL9891819 0.85 SMN1; SMN2 (0.77) ADORA3SMN1; SMN2MEN1NPC1LMNA
SCHEMBL4241185 0.85 ADORA3 (1.00) ADORA3SMN1; SMN2MEN1NPC1LMNA
SCHEMBL28952954 0.84 SMN1; SMN2 (0.75) ADORA3SMN1; SMN2MEN1NPC1LMNA
SCHEMBL9891806 0.83 SMN1; SMN2 (1.00) ADORA3SMN1; SMN2MEN1NPC1LMNA
SCHEMBL6942413 0.78 ADORA3 (1.00) ADORA3SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL13284526 0.75 ADORA3 (0.64) ADORA3SMN1; SMN2MEN1NPC1LMNA
SCHEMBL13257019 0.73 ADORA3 (0.61) ADORA3SMN1; SMN2MEN1NPC1LMNA
SCHEMBL6370742 0.72 ADORA3 (0.71) ADORA3SMN1; SMN2MEN1NPC1LMNA
SCHEMBL6545612 0.72 MAPT (0.66) ADORA3SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL3650394 0.72 ADORA3 (0.59) ADORA3SMN1; SMN2NPC1RAB9AMAPT

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 3 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-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 ADORA3 215/4885SMN1; SMN2 4659/4885MEN1 4874/4885

“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.