SCHEMBL3695232

SCHEMBL3695232

FC(F)(F)c1cnc(N2[C@@H]3CC[C@H]2C[C@H](n2ncc(COc4ccc(-n5cnnn5)nc4)n2)C3)nc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.34
KCNJ1 P48048 2/20 0.32
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
KCNH2 Q12809 2/20 0.31

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
SCHEMBL3695234 1.00 GPR119 (0.34) GPR119KCNJ1RXRAGRIN1GRIN2B
SCHEMBL4286431 0.91 GPR119 (0.35) GPR119KCNJ1
SCHEMBL4281021 0.91 GPR119 (0.35) GPR119KCNJ1
SCHEMBL4281015 0.91 GPR119 (0.35) GPR119KCNJ1
SCHEMBL14296691 0.89 GPR119 (0.38) GPR119KCNJ1
SCHEMBL3686890 0.88 GPR119 (0.42) GPR119KCNJ1KCNH2
SCHEMBL3689340 0.83 KDM4E (0.39) GPR119KCNH2
SCHEMBL7587748 0.82 GPR119 (0.38) GPR119KCNJ1KCNH2
SCHEMBL3692717 0.82 GPR119 (0.38) GPR119KCNJ1KCNH2
SCHEMBL16131164 0.81 GPR119 (0.36) GPR119KCNJ1KCNH2

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
EP-2185544-B1 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2014-11-26 EP claimed
EP-2185544-B1 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS CYMABAY THERAPEUTICS INC (US) 2014-11-26 EP disclosed
US-8846675-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2014-09-30 US disclosed
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2012-12-20 US disclosed
US-8183381-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders METABOLEX INC. (US) 2012-05-22 US disclosed
EP-2185544-A2 N-AZACYCLIC SUBSTITUTED PYRROLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS Metabolex Inc. (US) 2010-05-19 EP disclosed
US-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. 2009-05-28 US disclosed
WO-2009014910-A2 N-AZACYCLIC SUBSTITUTED PYRROLE, PYRAZOLE, IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES AS AGONISTS OF THE RUP3 OR GPR119 RECEPTOR FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. (US) 2009-01-29 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 (2 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-20090137590-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R GPR119 1/4885KCNJ1 2412/4885RXRA 193/4885
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R GPR119 1/4885KCNJ1 2412/4885RXRA 193/4885

“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.