SCHEMBL3685203

SCHEMBL3685203

CCc1cnc(N2CCC(n3ncc(COc4ccc(-n5cnnn5)nc4)n3)C(C)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.49
KCNJ1 P48048 4/20 0.33
KCNH2 Q12809 1/20 0.32
ACACB O00763 3/20 0.31
F11 P03951 1/20 0.30
KLKB1 P03952 1/20 0.30

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
SCHEMBL7589821 1.00 GPR119 (0.49) GPR119KCNJ1KCNH2ACACBF11
SCHEMBL3687098 0.92 GPR119 (0.42) GPR119KCNJ1KCNH2ACACB
SCHEMBL7592847 0.92 GPR119 (0.42) GPR119KCNJ1KCNH2ACACB
SCHEMBL7587789 0.91 GPR119 (0.40) GPR119KCNJ1KCNH2ACACB
SCHEMBL3691202 0.91 GPR119 (0.40) GPR119KCNJ1KCNH2ACACB
SCHEMBL3692717 0.89 GPR119 (0.38) GPR119KCNJ1KCNH2ACACB
SCHEMBL7587748 0.89 GPR119 (0.38) GPR119KCNJ1KCNH2ACACB
SCHEMBL3686233 0.88 GPR119 (0.56) GPR119KCNJ1F11KLKB1
SCHEMBL7606064 0.82 KCNJ1 (0.40) GPR119KCNJ1KCNH2
SCHEMBL3694659 0.82 KCNJ1 (0.40) 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
US-8846675-B2 N-linked heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS, INC. (US) 2014-09-30 US 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 2412/4885KCNH2 1920/4885
US-20120322804-A1 N-LINKED HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, INSR, GLP1R GPR119 1/4885KCNJ1 2412/4885KCNH2 1920/4885

“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.