SCHEMBL3315722

SCHEMBL3315722

COc1cccc(-c2ccccc2C(=O)N2CSC[C@H]2CN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NR1D1 P20393 1/20 0.41
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38

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
SCHEMBL3318435 0.89 POLB (0.40) TRPV1GAANR1D1HCRTR1HCRTR2
SCHEMBL3312601 0.86 MEN1 (0.43) HCRTR1HCRTR2CDK4CCND1ALDH1A1
SCHEMBL3307922 0.85 TSHR (0.46) HCRTR1HCRTR2TSHRLMNA
SCHEMBL3307994 0.84 KDM4E (0.42) TRPV1KDM4EGAAHCRTR1HCRTR2
SCHEMBL3315300 0.82 HCRTR1 (0.41) HCRTR1HCRTR2LMNAMEN1KMT2A
SCHEMBL3318857 0.81 HCRTR1 (0.40) HCRTR1HCRTR2ALDH1A1TSHRLMNA
SCHEMBL3311710 0.78 HCRTR1 (0.45) HCRTR1HCRTR2CDK4CCND1ALDH1A1
SCHEMBL3309391 0.78 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2929170 0.77 KDM4E (0.43) TRPV1KDM4EGAANR1D1HCRTR1
SCHEMBL2444050 0.75 HCRTR1 (0.47) TRPV1KDM4EGAAHCRTR1HCRTR2

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 TRPV1 190/4885KDM4E 3188/4885GAA 3348/4885

“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.