SCHEMBL3314868

SCHEMBL3314868

Cc1ccc(-c2ccccc2C(=O)N2CSC[C@H]2C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.41
HCRTR2 O43614 11/20 0.41
PREP P48147 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR2 P34972 2/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL3307921 0.90 TSHR (0.47) HCRTR1HCRTR2PREPNPSR1HSD17B10
SCHEMBL3309753 0.88 SLC6A4 (0.42) HCRTR1HCRTR2PREPCNR2TSHR
SCHEMBL3318429 0.87 MMP9 (0.42) HCRTR1HCRTR2PREPNPSR1HSD17B10
SCHEMBL3311253 0.87 HCRTR1 (0.41) HCRTR1HCRTR2PREPNPSR1HSD17B10
SCHEMBL3312345 0.87 CDK4 (0.42) HCRTR1HCRTR2PREPNPSR1HSD17B10
SCHEMBL3318857 0.82 HCRTR1 (0.40) HCRTR1HCRTR2TSHRRECQLLMNA
SCHEMBL3058143 0.81 HCRTR1 (0.49) HCRTR1HCRTR2TSHRRECQLLMNA
SCHEMBL3307994 0.80 KDM4E (0.42) HCRTR1HCRTR2NPSR1HSD17B10CNR2
SCHEMBL202879 0.75 ACE (0.44) LMNA
SCHEMBL3316112 0.74 HCRTR1 (0.45) HCRTR1HCRTR2

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 2/4885PREP 1099/4885

“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.