SCHEMBL9892823

SCHEMBL9892823

O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1CCN1C1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 2/20 0.52
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
PSMD14 O00487 1/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 3/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9892852 0.86 CNR2 (0.58) RAB9ANPC1ALDH1A1MAPK1MAPT
SCHEMBL13256784 0.80 RAB9A (0.56) RAB9ANPC1ALDH1A1MAPK1MAPT
SCHEMBL13256841 0.79 SMN1; SMN2 (0.63) RAB9ANPC1ALDH1A1MAPTCNR2
SCHEMBL9892825 0.76 CNR2 (0.50) RAB9AALDH1A1MAPTCNR2CNR1
SCHEMBL9892794 0.75 CNR2 (0.62) RAB9ANPC1ALDH1A1MAPK1MAPT
SCHEMBL9892800 0.75 RAB9A (0.52) RAB9ANPC1ALDH1A1MAPK1MAPT
SCHEMBL9892816 0.75 MEN1 (0.56) RAB9ANPC1ALDH1A1MAPK1KMT2A
SCHEMBL9892788 0.73 CNR2 (0.89) RAB9ANPC1ALDH1A1MAPK1MAPT
SCHEMBL16254980 0.72 ABL1 (0.79) RAB9ANPC1ALDH1A1MAPK1KMT2A
SCHEMBL9892778 0.72 NPC1 (0.60) RAB9ANPC1ALDH1A1MAPTCNR2

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 RAB9A 1317/4885NPC1 1689/4885ALDH1A1 1724/4885

“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.