SCHEMBL3309753

SCHEMBL3309753

NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HCRTR1 O43613 8/20 0.41
HCRTR2 O43614 8/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
PREP P48147 1/20 0.38
SCN9A Q15858 1/20 0.38
CNR2 P34972 3/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
MLNR O43193 1/20 0.37
CYP3A4 P08684 1/20 0.37
BCAT2 O15382 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
SCHEMBL3307921 0.90 TSHR (0.47) HCRTR1HCRTR2PREPCNR2TSHR
SCHEMBL3314868 0.88 HCRTR1 (0.41) HCRTR1HCRTR2PREPCNR2TSHR
SCHEMBL3318429 0.85 MMP9 (0.42) HCRTR1HCRTR2PREPCNR2FPR2
SCHEMBL3311253 0.83 HCRTR1 (0.41) HCRTR1HCRTR2PREPCNR2MEN1
SCHEMBL3311710 0.82 HCRTR1 (0.45) SLC6A4SLC6A3HCRTR1HCRTR2CDK4
SCHEMBL3058402 0.81 SCN9A (0.49) SLC6A4SLC6A3HCRTR1HCRTR2CDK4
SCHEMBL3312345 0.81 CDK4 (0.42) HCRTR1HCRTR2CDK4CCND1PREP
SCHEMBL3307994 0.78 KDM4E (0.42) HCRTR1HCRTR2CNR2TSHRMEN1
SCHEMBL3415826 0.73 HCRTR1 (0.44) SLC6A4SLC6A3HCRTR1HCRTR2CDK4
SCHEMBL2925286 0.73 HCRTR1 (0.44) SLC6A4SLC6A3HCRTR1HCRTR2CDK4

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 SLC6A4 456/4885SLC6A3 484/4885HCRTR1 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.