SCHEMBL2540908

SCHEMBL2540908

O=C(O)N1CCC(Oc2cc(=O)n(-c3ccc(Cl)c(Cl)c3)nc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ HRH1 P35367 6/20 0.38
▸ CCR3 P51677 6/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ RPA1 P27694 1/20 0.36
▸ SCD O00767 1/20 0.36

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
SCHEMBL2544216 0.90 KCNH2 (0.38) KCNH2NOTUMHRH1CCR3EGFR
SCHEMBL2546838 0.88 KCNH2 (0.39) KCNH2NOTUMHRH1CCR3SIGMAR1
SCHEMBL1550677 0.88 GAA (0.40) KCNH2HRH1CCR3SCD
SCHEMBL2541877 0.87 BCAT1 (0.42) KCNH2NOTUMHRH1CCR3EGFR
SCHEMBL2547617 0.86 NPBWR1 (0.52) —
SCHEMBL2538676 0.85 SCD (0.42) SCD
SCHEMBL14237503 0.84 KCNH2 (0.36) KCNH2NOTUMSIGMAR1RPA1
SCHEMBL1550872 0.78 NPBWR1 (0.50) —
SCHEMBL2542457 0.77 NPBWR1 (0.51) —
SCHEMBL1550704 0.76 ALDH1A1 (0.41) RPA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP claimed
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
US-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 — — US disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 — — 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 (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-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 KCNH2 929/4885NOTUM 4858/4885HRH1 250/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 KCNH2 869/4885NOTUM 4860/4885HRH1 275/4885

“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.

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