SCHEMBL2546838

SCHEMBL2546838

O=C(O)N1CCC(Oc2cc(=O)n(-c3ccc(Cl)c(Cl)c3)nc2CO)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.39
▸ HRH1 P35367 5/20 0.37
▸ CCR3 P51677 5/20 0.37
▸ EGFR P00533 2/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL2540908 0.88 KCNH2 (0.39) KCNH2HRH1CCR3EGFRERBB2
SCHEMBL2542448 0.87 NPBWR1 (0.51) NPBWR1MCHR1
SCHEMBL2544216 0.86 KCNH2 (0.38) KCNH2HRH1CCR3EGFRERBB2
SCHEMBL14237704 0.85 KCNH2 (0.36) KCNH2HRH1CCR3EGFRERBB2
SCHEMBL1550677 0.84 GAA (0.40) KCNH2HRH1CCR3SMN1; SMN2RAB9A
SCHEMBL2541877 0.83 BCAT1 (0.42) KCNH2HRH1CCR3EGFRERBB2
SCHEMBL2538676 0.82 SCD (0.42) —
SCHEMBL2544231 0.82 GPR119 (0.42) —
SCHEMBL2547617 0.75 NPBWR1 (0.52) NPBWR1MCHR1
SCHEMBL1550872 0.75 NPBWR1 (0.50) NPBWR1MCHR1

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
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
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP 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 929/4885HRH1 250/4885CCR3 1510/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 KCNH2 869/4885HRH1 275/4885CCR3 1417/4885

“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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