SCHEMBL1270287

SCHEMBL1270287

O=C1Nc2ccccc2CCC1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 5/20 0.49
▸ PYGM P11217 5/20 0.49
▸ RIPK1 Q13546 11/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ MAPK12 P53778 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL1270286 1.00 PYGL (0.49) PYGLPYGMRIPK1NPC1MAPK13
SCHEMBL7422479 0.87 PYGL (0.46) PYGLPYGMRIPK1NPC1MAPK13
SCHEMBL9025583 0.79 PYGL (0.53) PYGLPYGMRIPK1NPC1MAPK13
SCHEMBL9025588 0.79 PYGL (0.53) PYGLPYGMRIPK1NPC1MAPK13
SCHEMBL4216634 0.78 PYGL (0.66) PYGLPYGMRIPK1DDB1CRBN
SCHEMBL4232147 0.78 PYGL (0.66) PYGLPYGMRIPK1DDB1CRBN
SCHEMBL1976547 0.78 PYGL (0.66) PYGLPYGMRIPK1DDB1CRBN
SCHEMBL5640452 0.77 PYGL (0.53) PYGLPYGMRIPK1NPC1MAPK13
SCHEMBL5640449 0.77 PYGL (0.51) PYGLPYGMRIPK1NPC1MAPK13
SCHEMBL9024912 0.76 RIPK1 (0.53) PYGLPYGMRIPK1NPC1MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 — — US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 — — 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 (1 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-20090181946-A1 Benzaepinones as Sodium Channel Blockers TRPV1, TRPA1, KCNN1 PYGL 4545/4885PYGM 3736/4885RIPK1 2225/4885

“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.

Send feedback