SCHEMBL2716213

SCHEMBL2716213

CC1(C)OCC(c2ccc(OCc3csc(C4CCN(c5ncccn5)CC4)n3)cc2)CO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.50
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
F2RL3 Q96RI0 4/20 0.34
ERBB2 P04626 1/20 0.33
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL3702657 0.85 GPR119 (0.48) GPR119KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL2718956 0.85 GPR119 (0.48) GPR119KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL2717223 0.85 GPR119 (0.48) GPR119KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL2729403 0.85 GPR119 (0.48) GPR119KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL1118163 0.79 GPR119 (0.53) GPR119KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL2728959 0.77 GPR119 (0.51) GPR119KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL2716172 0.77 GPR119 (0.63) GPR119
SCHEMBL3698661 0.77 GPR119 (0.63) GPR119
SCHEMBL3692561 0.77 GPR119 (0.63) GPR119
SCHEMBL3692557 0.77 GPR119 (0.63) 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 5 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 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 1/4885KDM4E 3580/4885MEN1 4364/4885

“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.