SCHEMBL3698016

SCHEMBL3698016

Cc1c(Oc2ccc([C@H]3CO[S@](=O)OC3)cc2)ncnc1OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SCN9A Q15858 15/20 0.46
SCN5A Q14524 10/20 0.46
KCNH2 Q12809 7/20 0.46
GPR119 Q8TDV5 1/20 0.44
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3698623 1.00 MAOA (0.46) MAOAMAOBSCN9ASCN5AKCNH2
SCHEMBL3698015 1.00 MAOA (0.46) MAOAMAOBSCN9ASCN5AKCNH2
SCHEMBL3699648 0.88 MAOA (0.46) MAOAMAOBSCN9ASCN5AKCNH2
SCHEMBL2716658 0.87 SCN9A (0.46) MAOAMAOBSCN9ASCN5AKCNH2
SCHEMBL15234139 0.85 GPR119 (0.62) GPR119SMN1; SMN2
SCHEMBL15234082 0.85 GPR119 (0.62) GPR119SMN1; SMN2
SCHEMBL2717830 0.84 GPR119 (0.47) GPR119
SCHEMBL3699548 0.83 GPR119 (0.41) GPR119
SCHEMBL2730168 0.83 GPR119 (0.41) GPR119
SCHEMBL15234140 0.83 GPR119 (0.42) GPR119

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 6 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

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 MAOA 3295/4885MAOB 3011/4885SCN9A 1176/4885

“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.