SCHEMBL9892783

SCHEMBL9892783

CCC(=O)Nc1nc(C2CCCCC2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.65
ADORA1 P30542 4/20 0.57
TMIGD3 P0DMS9 3/20 0.57
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
LMNA P02545 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADORA2A P29274 2/20 0.44
IDO1 P14902 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL9893165 0.93 ADORA1 (0.65) RORCADORA1TMIGD3RAB9AALDH1A1
SCHEMBL9893178 0.84 TMIGD3 (0.61) RORCADORA1TMIGD3RAB9AALDH1A1
SCHEMBL11220024 0.81 ALDH1A1 (0.60) RORCADORA1TMIGD3RAB9AALDH1A1
SCHEMBL9891514 0.81 ADORA1 (0.86) RORCADORA1TMIGD3RAB9AALDH1A1
SCHEMBL9891912 0.81 ADORA1 (0.57) RORCADORA1TMIGD3RAB9AALDH1A1
SCHEMBL11226342 0.80 ADORA1 (0.56) RORCADORA1TMIGD3RAB9AALDH1A1
SCHEMBL16373558 0.79 ADORA1 (0.62) RORCADORA1TMIGD3RAB9AALDH1A1
SCHEMBL15219099 0.77 ADORA1 (0.59) RORCADORA1TMIGD3RAB9AALDH1A1
SCHEMBL9892839 0.77 ADORA1 (0.52) RORCADORA1TMIGD3RAB9AALDH1A1
SCHEMBL1621586 0.76 ADORA1 (0.58) RORCADORA1TMIGD3RAB9ASMN1; SMN2

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 RORC 408/4885ADORA1 106/4885TMIGD3 953/4885

“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.