SCHEMBL9892909

SCHEMBL9892909

CCC(=O)Nc1nnc(-c2ccccc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.56
ADORA2A P29274 4/20 0.56
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
ADORA1 P30542 3/20 0.49
ADORA2B P29275 2/20 0.49
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL24867004 0.87 KDM4E (0.52) ADORA3ADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL13392772 0.83 HTT (0.54) ADORA3RAB9ANPC1SMN1; SMN2HTT
SCHEMBL14960337 0.83 FGFR1 (0.55) ADORA3ADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL13392935 0.82 ALDH1A1 (0.49) ADORA3RAB9ANPC1SMN1; SMN2HTT
SCHEMBL23467832 0.79 GLA (0.40) ADORA3ADORA2ASMN1; SMN2HTTADORA1
SCHEMBL9891523 0.79 POLB (0.50) RAB9ANPC1SMN1; SMN2ADORA1KMT2A
SCHEMBL13872774 0.78 ADORA2A (0.54) ADORA3ADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL24380269 0.76 L3MBTL1 (0.47) ADORA3ADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL24867597 0.76 PRKACA (0.52) ALDH1A1HPGDMAPTGAAPOLB
SCHEMBL24867388 0.74 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HTTALDH1A1

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 ADORA3 97/4885ADORA2A 51/4885RAB9A 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.