SCHEMBL3311331

SCHEMBL3311331

Cc1cccc(-c2oc(C)nc2C(=O)N2CSC[C@H]2C(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.48
HCRTR2 O43614 7/20 0.48
CNR2 P34972 2/20 0.39
CCNK O75909 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
FPR2 P25090 5/20 0.37
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SLC9A1 P19634 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
SCHEMBL3311338 0.88 HCRTR1 (0.42) HCRTR1HCRTR2CNR2FPR2
SCHEMBL3318819 0.88 CCNK (0.40) HCRTR1HCRTR2CNR2CCNKCDK12
SCHEMBL3311335 0.85 HCRTR1 (0.47) HCRTR1HCRTR2FPR2RXRARXRB
SCHEMBL3308024 0.84 HCRTR1 (0.43) HCRTR1HCRTR2CNR2CCNKCDK12
SCHEMBL3315504 0.82 CNR2 (0.39) HCRTR1HCRTR2CNR2CCNKCDK12
SCHEMBL3311522 0.81 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3313447 0.81 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL2634985 0.80 HCRTR1 (0.52) HCRTR1HCRTR2FPR2
SCHEMBL3344465 0.79 HCRTR1 (0.51) HCRTR1HCRTR2FPR2RXRARXRB
SCHEMBL3312345 0.76 CDK4 (0.42) HCRTR1HCRTR2CNR2SLC9A1

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 2/4885CNR2 74/4885

“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.