SCHEMBL9892914

SCHEMBL9892914

CCC(=O)Nc1nc(-c2ccccc2)ns1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 1.00
NPC1 O15118 5/20 1.00
RAB9A P51151 5/20 1.00
HTT P42858 3/20 1.00
LMNA P02545 5/20 0.80
MEN1 O00255 5/20 0.80
KMT2A Q03164 5/20 0.80
L3MBTL1 Q9Y468 2/20 0.71
ADORA3 P0DMS8 11/20 0.67
TP53 P04637 2/20 0.66
POLB P06746 1/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
RXFP1 Q9HBX9 1/20 0.63
MAPT P10636 3/20 0.58
GFER P55789 1/20 0.58
USP2 O75604 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL70743 0.87 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL9852328 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL71744 0.84 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL16254958 0.83 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL9852174 0.83 ADORA3 (0.77) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL29530821 0.80 ADORA3 (1.00) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL20458189 0.80 ADORA3 (0.72) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL9891525 0.79 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL9891806 0.79 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AHTTLMNA
SCHEMBL9852376 0.77 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AHTTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4282/4885NPC1 1689/4885RAB9A 1317/4885

“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.