SCHEMBL3315508

SCHEMBL3315508

COc1ccc(-c2oc(C)nc2C(=O)N2CSC[C@H]2CN)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.38
HCRTR2 O43614 1/20 0.36
TARBP2 Q15633 2/20 0.35
PDCD4 Q53EL6 1/20 0.35
IKBKB O14920 1/20 0.35
KMT2A Q03164 3/20 0.33
PKM P14618 2/20 0.33
MEN1 O00255 1/20 0.33
MDM2 Q00987 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 1/20 0.33
GSK3B P49841 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL3308031 0.88 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL3315504 0.85 CNR2 (0.39) HCRTR1HCRTR2TARBP2PDCD4IKBKB
SCHEMBL3311335 0.82 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3311341 0.79 HCRTR1 (0.45) HCRTR1HCRTR2KMT2AMEN1CNR2
SCHEMBL3318435 0.74 POLB (0.40) HCRTR1HCRTR2KMT2ASMN1; SMN2
SCHEMBL3318819 0.74 CCNK (0.40) HCRTR1HCRTR2IKBKBKMT2ANPC1
SCHEMBL3309391 0.72 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL13056706 0.72 IKBKB (0.58) TARBP2PDCD4IKBKBKMT2APKM
SCHEMBL1166955 0.71 ALDH1A1 (0.48) TARBP2PDCD4IKBKBKMT2APKM
SCHEMBL13056699 0.69 TARBP2 (0.64) TARBP2PDCD4KMT2AMEN1NPC1

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 2/4885TARBP2 2978/4885

“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.