SCHEMBL3311253

SCHEMBL3311253

Cc1ccc(-c2ccccc2C(=O)N2CSC[C@H]2C(N)=O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.41
HCRTR2 O43614 9/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PREP P48147 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3314868 0.87 HCRTR1 (0.41) HCRTR1HCRTR2PREPNPSR1HSD17B10
SCHEMBL3312345 0.87 CDK4 (0.42) HCRTR1HCRTR2MEN1KMT2APREP
SCHEMBL3307921 0.85 TSHR (0.47) HCRTR1HCRTR2PREPNPSR1HSD17B10
SCHEMBL3315300 0.83 HCRTR1 (0.41) HCRTR1HCRTR2MEN1KMT2ACHRM2
SCHEMBL1398915 0.83 HCRTR1 (0.47) HCRTR1HCRTR2MEN1KMT2ACHRM2
SCHEMBL3309753 0.83 SLC6A4 (0.42) HCRTR1HCRTR2MEN1KMT2APREP
SCHEMBL3318429 0.82 MMP9 (0.42) HCRTR1HCRTR2PREPNPSR1HSD17B10
SCHEMBL3307994 0.82 KDM4E (0.42) HCRTR1HCRTR2MEN1KMT2ANPSR1
SCHEMBL2635037 0.78 HCRTR1 (0.43) HCRTR1HCRTR2MEN1KMT2ACHRM2
SCHEMBL3350490 0.76 HCRTR1 (0.43) HCRTR1HCRTR2MEN1KMT2AALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US claimed
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 US claimed
EP-2125760-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP claimed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 WO claimed
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 US disclosed
EP-2125760-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 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-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885MEN1 917/4885

“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.