SCHEMBL17464828

SCHEMBL17464828

CC(=O)N1CC[C@H]1c1nc(C)no1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
HSD11B1 P28845 1/20 0.40
GRM5 P41594 4/20 0.40
HCRTR1 O43613 7/20 0.39
HCRTR2 O43614 7/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL17069015 0.91 HCRTR1 (0.46) GRM5HCRTR1HCRTR2
SCHEMBL16945623 0.84 CHRM2 (0.43) CHRM2HSD11B1GRM5HCRTR1HCRTR2
SCHEMBL17464832 0.80 PTPN1 (0.52) CHRM2GRM5HCRTR1HCRTR2
SCHEMBL15934090 0.80 PTPN1 (0.52) CHRM2GRM5HCRTR1HCRTR2
SCHEMBL16945704 0.80 SPHK2 (0.51) CHRM2
SCHEMBL20225486 0.79 CHRM2 (0.41) CHRM2HSD11B1GRM5
SCHEMBL16945621 0.76 HCRTR1 (0.41) CHRM2GRM5HCRTR1HCRTR2
SCHEMBL22628912 0.75 HSD11B1 (0.54) CHRM2HSD11B1EPHX2
SCHEMBL17464839 0.75 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL15934136 0.75 CHRM2 (0.49) CHRM2HSD11B1

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-9403813-B2 Azetidine amide derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-02 US disclosed
US-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-01-28 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-20160024064-A1 AZETIDINE AMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R CHRM2 170/4885HSD11B1 1131/4885GRM5 573/4885

“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.