SCHEMBL4801410

SCHEMBL4801410

O=C(NC1CCc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 16/20 1.00
▸ PYGM P11217 12/20 1.00
▸ RIPK1 Q13546 2/20 0.54
▸ CCKAR P32238 1/20 0.54
▸ CCKBR P32239 1/20 0.54
▸ SMYD3 Q9H7B4 1/20 0.53

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
SCHEMBL4803861 0.90 PYGL (1.00) PYGLPYGM
SCHEMBL4796608 0.90 PYGL (1.00) PYGLPYGM
SCHEMBL4803919 0.90 PYGL (1.00) PYGLPYGM
SCHEMBL14064277 0.85 PYGL (0.73) PYGLPYGMRIPK1CCKARCCKBR
SCHEMBL6904531 0.83 PYGL (0.71) PYGLPYGMSMYD3
SCHEMBL4800465 0.81 PYGL (0.71) PYGLPYGMCCKARCCKBRSMYD3
SCHEMBL4803352 0.81 PYGL (0.71) PYGLPYGMRIPK1CCKARCCKBR
SCHEMBL4799752 0.81 PYGL (0.71) PYGLPYGMRIPK1CCKARCCKBR
SCHEMBL4800492 0.81 PYGL (0.71) PYGLPYGMCCKARCCKBRSMYD3
SCHEMBL5643030 0.79 PYGL (0.77) PYGLPYGMCCKARCCKBRSMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use SHER PHILIP 2006-06-15 — — US claimed
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2004-01-01 — — US claimed
US-7425550-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-09-16 — — US disclosed
US-7098235-B2 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB CO. (US) 2006-08-29 — — US disclosed
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use SHER PHILIP 2006-06-15 — — US disclosed
US-7057046-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-06 — — US disclosed
US-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 — — 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 (3 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-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds PYGL, PNLIP, PYGM PYGL 1/4885PYGM 3/4885RIPK1 3009/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 PYGL 1/4885PYGM 2/4885RIPK1 2251/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 PYGL 1/4885PYGM 2/4885RIPK1 2109/4885

“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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