SCHEMBL3312601

SCHEMBL3312601

Cc1cccc(-c2ccccc2C(=O)N2CSC[C@H]2CN)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
HCRTR1 O43613 9/20 0.40
HCRTR2 O43614 9/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CHRM3 P20309 5/20 0.38
LMNA P02545 1/20 0.37
GRM5 P41594 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
SCHEMBL3318857 0.88 HCRTR1 (0.40) ALDH1A1HCRTR1HCRTR2LMNA
SCHEMBL3307922 0.87 TSHR (0.46) HCRTR1HCRTR2LMNA
SCHEMBL3315300 0.87 HCRTR1 (0.41) MEN1KMT2AHCRTR1HCRTR2CHRM3
SCHEMBL3315722 0.86 TRPV1 (0.42) MEN1ALDH1A1KMT2ACDK4CCND1
SCHEMBL3312345 0.83 CDK4 (0.42) MEN1ALDH1A1KMT2ACDK4CCND1
SCHEMBL3058147 0.83 MEN1 (0.48) MEN1ALDH1A1KMT2ACDK4CCND1
SCHEMBL3311710 0.81 HCRTR1 (0.45) MEN1ALDH1A1KMT2ACDK4CCND1
SCHEMBL3318435 0.80 POLB (0.40) ALDH1A1KMT2AHCRTR1HCRTR2CHRM3
SCHEMBL3313452 0.77 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3311530 0.77 HCRTR1 (0.54) 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 MEN1 917/4885ALDH1A1 680/4885KMT2A 1399/4885

“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.