SCHEMBL9892782

SCHEMBL9892782

CCC(=O)Nc1nc(C(C)(C)C)ns1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 8/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.44
CNR2 P34972 1/20 0.43
LMNA P02545 5/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
XBP1 P17861 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL11222210 0.85 RAB9A (0.52) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL10068197 0.83 RAB9A (0.52) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL9892988 0.81 SMN1; SMN2 (0.49) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL9891516 0.79 RAB9A (0.55) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL10068184 0.78 ALDH1A1 (0.64) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL1855039 0.77 RAB9A (0.58) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL20458176 0.77 CNR2 (0.43) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL9891818 0.77 NPC1 (0.52) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL77628 0.75 ALDH1A1 (0.64) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL9892814 0.71 CNR2 (0.50) RAB9ANPC1SMN1; SMN2TP53CNR2

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 RAB9A 1317/4885NPC1 1689/4885MAPT 4331/4885

“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.