SCHEMBL9892886

SCHEMBL9892886

O=C(Nc1nnc(-c2ccccc2)[nH]1)[C@@H]1CCN1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
SCN3A Q9NY46 2/20 0.37
SCN9A Q15858 1/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CTSC P53634 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
PARP1 P09874 1/20 0.35
PBK Q96KB5 1/20 0.35
KHK P50053 1/20 0.34

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
SCHEMBL24827626 0.82 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2POLBL3MBTL1
SCHEMBL14960337 0.75 FGFR1 (0.55) NPC1RAB9ASMN1; SMN2POLBL3MBTL1
SCHEMBL13872774 0.74 ADORA2A (0.54) NPC1RAB9ASMN1; SMN2ADORA3ADORA2A
SCHEMBL7072829 0.73 HPGD (0.56) NPC1RAB9ASMN1; SMN2POLBL3MBTL1
SCHEMBL7072835 0.73 HPGD (0.56) NPC1RAB9ASMN1; SMN2POLBL3MBTL1
SCHEMBL9892835 0.72 ADORA3 (0.67) NPC1RAB9ASMN1; SMN2POLBL3MBTL1
SCHEMBL9892827 0.72 CNR2 (0.48) ADORA3ADORA2AADORA1
SCHEMBL9892909 0.71 ADORA3 (0.56) NPC1RAB9ASMN1; SMN2POLBL3MBTL1
SCHEMBL9891523 0.71 POLB (0.50) NPC1RAB9ASMN1; SMN2POLBL3MBTL1
SCHEMBL9892932 0.71 KDM4E (0.53) NPC1RAB9ASMN1; SMN2POLBADORA3

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 DHODH 3918/4885NPC1 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.