SCHEMBL9892926

SCHEMBL9892926

O=C(Nc1nc2ccccc2s1)[C@@H]1CCN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
ALDH1A1 P00352 4/20 0.60
TP53 P04637 1/20 0.60
MAPK1 P28482 1/20 0.60
ADORA1 P30542 3/20 0.58
DYRK1A Q13627 1/20 0.58
GAA P10253 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
NFKB1 P19838 5/20 0.57
NFKB2 Q00653 5/20 0.57
RELA Q04206 5/20 0.57
KDM4E B2RXH2 1/20 0.56
MAPT P10636 5/20 0.55
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 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
SCHEMBL4916753 1.00 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL4916768 1.00 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL25938119 0.93 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL25938121 0.93 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
Hydrochloric Acid SCHEMBL25334221 0.92 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
Hydrochloric Acid SCHEMBL25334213 0.92 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL880500 0.82 GAA (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL1148016 0.82 GAA (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL9892815 0.82 CASP3 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1DYRK1A
SCHEMBL20458209 0.82 CYP1A2 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

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 NPC1 1689/4885RAB9A 1317/4885SMN1; SMN2 4282/4885

“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.