SCHEMBL3307922

SCHEMBL3307922

NC[C@@H]1CSCN1C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
HCRTR1 O43613 14/20 0.46
HCRTR2 O43614 13/20 0.46
BCAT2 O15382 1/20 0.42
LMNA P02545 1/20 0.41
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SLC6A7 Q99884 1/20 0.39

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
SCHEMBL3318857 0.90 HCRTR1 (0.40) TSHRRECQLHCRTR1HCRTR2LMNA
SCHEMBL3311710 0.90 HCRTR1 (0.45) TSHRRECQLHCRTR1HCRTR2LMNA
SCHEMBL3318435 0.87 POLB (0.40) HCRTR1HCRTR2LMNA
SCHEMBL3312601 0.87 MEN1 (0.43) HCRTR1HCRTR2LMNA
SCHEMBL3315300 0.85 HCRTR1 (0.41) HCRTR1HCRTR2LMNA
SCHEMBL3315722 0.85 TRPV1 (0.42) TSHRHCRTR1HCRTR2LMNA
SCHEMBL3307921 0.81 TSHR (0.47) TSHRRECQLHCRTR1HCRTR2BCAT2
SCHEMBL1398834 0.80 HCRTR1 (0.57) TSHRRECQLHCRTR1HCRTR2BCAT2
SCHEMBL3309635 0.80 TSHR (0.49) TSHRRECQLHCRTR1HCRTR2BCAT2
SCHEMBL1398831 0.80 HCRTR1 (0.57) TSHRRECQLHCRTR1HCRTR2BCAT2

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 TSHR 37/4885RECQL 3949/4885HCRTR1 1/4885

“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.