SCHEMBL2730737

SCHEMBL2730737

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C[C@H]3CO[S@](=O)OC3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.53
HRH3 Q9Y5N1 1/20 0.44
CHEK2 O96017 1/20 0.44
USP30 Q70CQ3 1/20 0.43
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL2730735 1.00 GPR119 (0.53) GPR119HRH3CHEK2USP30PDE4D
SCHEMBL3703122 1.00 GPR119 (0.53) GPR119HRH3CHEK2USP30PDE4D
SCHEMBL2716911 0.94 GPR119 (0.50) GPR119
SCHEMBL2716908 0.94 GPR119 (0.50) GPR119
SCHEMBL2716929 0.86 GPR119 (0.53) GPR119HRH3CHEK2USP30PDE4D
SCHEMBL2716926 0.86 GPR119 (0.53) GPR119HRH3CHEK2USP30PDE4D
SCHEMBL3697624 0.85 GPR119 (0.58) GPR119
SCHEMBL3692985 0.85 GPR119 (0.58) GPR119
SCHEMBL3692983 0.85 GPR119 (0.58) GPR119
SCHEMBL2716743 0.85 EPHX2 (0.41) HRH3ALDH1A1

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-8772302-B2 GPR 119 agonists CADILA HEALTHCARE LIMITED (IN) 2014-07-08 US claimed
EP-2445904-B1 1,3,2-DIOXATHIANE-2-OXIDE DERIVATIVES AND THEIR USE AS GPR 119 AGONISTS CADILA HEALTHCARE LTD (IN) 2013-09-11 EP claimed
US-20120122905-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2012-05-17 US claimed
US-8772302-B2 GPR 119 agonists CADILA HEALTHCARE LIMITED (IN) 2014-07-08 US disclosed
EP-2445904-B1 1,3,2-DIOXATHIANE-2-OXIDE DERIVATIVES AND THEIR USE AS GPR 119 AGONISTS CADILA HEALTHCARE LTD (IN) 2013-09-11 EP disclosed
US-20120122905-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2012-05-17 US disclosed
EP-2445904-A1 NOVEL GPR 119 AGONISTS Cadila Healthcare Limited (IN) 2012-05-02 EP disclosed
WO-2010146605-A1 NOVEL GPR 119 AGONISTS CADILA HEALTHCARE LIMITED (IN) 2010-12-23 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-20120122905-A1 NOVEL GPR 119 AGONISTS GPR119, GPR4, GPR39 GPR119 1/4885HRH3 745/4885CHEK2 4519/4885

“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.