SCHEMBL13323593

SCHEMBL13323593

[C-]#[N+]c1ccc(Nc2nccc(OC3CCN(C(=O)OC(C)C)CC3)c2OC)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.48
CYP2C9 P11712 3/20 0.48
KCNH2 Q12809 1/20 0.48
EGFR P00533 2/20 0.42
ERBB2 P04626 2/20 0.42
PDE4B Q07343 1/20 0.39

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
SCHEMBL13323592 0.91 GPR119 (0.50) GPR119CYP2C9KCNH2
SCHEMBL389780 0.86 GPR119 (0.52) GPR119CYP2C9KCNH2EGFRERBB2
SCHEMBL390069 0.85 GPR119 (0.47) GPR119CYP2C9KCNH2EGFRERBB2
SCHEMBL386816 0.79 GPR119 (0.52) GPR119CYP2C9KCNH2
SCHEMBL3154259 0.78 GPR119 (0.68) GPR119CYP2C9KCNH2
SCHEMBL390736 0.78 GPR119 (0.54) GPR119CYP2C9KCNH2
SCHEMBL13323604 0.78 GPR119 (0.63) GPR119CYP2C9KCNH2
SCHEMBL391634 0.78 GPR119 (0.49) GPR119CYP2C9KCNH2
SCHEMBL3251262 0.77 GPR119 (0.49) GPR119CYP2C9KCNH2PDE4B
SCHEMBL14458861 0.77 GPR119 (0.58) GPR119CYP2C9KCNH2

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-8362248-B2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-20100113479-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS ARENA PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113480-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS ARENA PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 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 (4 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-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PC, GPR119, PNPO GPR119 2/4885CYP2C9 208/4885KCNH2 4647/4885
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PLPBP, PNPO, PDXK GPR119 7/4885CYP2C9 253/4885KCNH2 4517/4885
US-20100113479-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS GPR119, GCGR, GIPR GPR119 1/4885CYP2C9 1152/4885KCNH2 2423/4885
US-20100113480-A1 PROCESS FOR THE PREPARATION OF TRI-SUBSTITUTED PYRIDINE AND TRI-SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL AS GDIR AGONISTS GPR119, GCGR, GIPR GPR119 1/4885CYP2C9 1152/4885KCNH2 2423/4885

“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.