SCHEMBL9892835

SCHEMBL9892835

O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CCN1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.67
SMN1; SMN2 Q16637 6/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TP53 P04637 2/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
HSD17B10 Q99714 1/20 0.60
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
LMNA P02545 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
POLB P06746 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL13257010 0.93 ADORA3 (0.68) ADORA3SMN1; SMN2L3MBTL1TP53ALOX15
SCHEMBL13257168 0.93 ADORA3 (0.68) ADORA3SMN1; SMN2L3MBTL1TP53ALOX15
SCHEMBL9892285 0.83 ADORA3 (0.63) ADORA3SMN1; SMN2L3MBTL1TP53ALOX15
SCHEMBL13257018 0.81 ADORA3 (0.53) ADORA3SMN1; SMN2L3MBTL1TP53ALOX15
SCHEMBL9852174 0.78 ADORA3 (0.77) ADORA3SMN1; SMN2L3MBTL1TP53NPC1
SCHEMBL13257019 0.78 ADORA3 (0.61) ADORA3SMN1; SMN2TP53NPC1RAB9A
SCHEMBL9892932 0.78 KDM4E (0.53) ADORA3SMN1; SMN2TP53MAPK1HSD17B10
SCHEMBL9892895 0.76 LMNA (0.63) ADORA3SMN1; SMN2TP53ALOX15MAPK1
SCHEMBL16254958 0.76 SMN1; SMN2 (1.00) ADORA3SMN1; SMN2L3MBTL1TP53ALOX15
SCHEMBL29530821 0.76 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
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
WO-2010147791-A1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-23 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ADORA3 97/4885SMN1; SMN2 4282/4885L3MBTL1 4866/4885

“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.