SCHEMBL9892847

SCHEMBL9892847

O=C(Nc1nc2ccccc2s1)[C@@H]1CCN1C1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.65
CNR1 P21554 1/20 0.65
SMN1; SMN2 Q16637 7/20 0.61
NPC1 O15118 6/20 0.61
RAB9A P51151 6/20 0.61
TP53 P04637 3/20 0.57
MAPK1 P28482 2/20 0.57
LRRK2 Q5S007 1/20 0.55
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
ALOX15 P16050 2/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
USP2 O75604 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP1A2 P05177 2/20 0.49

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
SCHEMBL9892788 0.85 CNR2 (0.89) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL9892778 0.84 NPC1 (0.60) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL9892852 0.79 CNR2 (0.58) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL9892150 0.79 CNR2 (1.00) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL9892148 0.79 CNR2 (1.00) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL13256839 0.78 CNR2 (0.94) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL13257205 0.78 CNR2 (0.94) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL13257052 0.78 CNR2 (0.94) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL9892792 0.77 ALDH1A1 (0.62) CNR2CNR1MAPTTSHRNPSR1
SCHEMBL9892822 0.77 TP53 (0.56) CNR2CNR1SMN1; SMN2NPC1RAB9A

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 CNR2 1/4885CNR1 2/4885SMN1; 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.