SCHEMBL1398797

SCHEMBL1398797

CNC1CCN1S(=O)(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.43
OPRK1 P41145 12/20 0.42
OPRM1 P35372 11/20 0.42
KCNH2 Q12809 1/20 0.39
ALOX5AP P20292 4/20 0.37
FEN1 P39748 4/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL1398794 1.00 HCRTR1 (0.43) HCRTR1HCRTR2UCHL1USP30OPRK1
SCHEMBL29010641 0.81 OPRK1 (0.49) HCRTR1HCRTR2UCHL1USP30OPRK1
SCHEMBL1398793 0.75 FEN1 (0.50) HCRTR1HCRTR2UCHL1USP30OPRK1
SCHEMBL31717173 0.75 MMP2 (0.51) HCRTR1HCRTR2OPRK1OPRM1
SCHEMBL1398849 0.74 ALOX5AP (0.58) HCRTR1HCRTR2UCHL1USP30OPRK1
SCHEMBL28969716 0.74 ALOX15 (0.54) OPRK1OPRM1
SCHEMBL28546624 0.72 TSHR (0.55) HCRTR1HCRTR2OPRK1OPRM1KCNH2
SCHEMBL31716763 0.70 CASP3 (0.50) HCRTR1HCRTR2OPRK1OPRM1ALOX5AP
SCHEMBL1398741 0.70 CKS1B (0.48) OPRK1OPRM1
SCHEMBL31716758 0.69 GHSR (0.55) OPRK1OPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885UCHL1 2010/4885

“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.