SCHEMBL8010027

SCHEMBL8010027

O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)C(=O)CCC2

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.56
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LMNA P02545 1/20 0.46
TOP1 P11387 6/20 0.44
GAA P10253 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL2396353 0.87 CHRM1 (0.59) CHRM1LMNATOP1
SCHEMBL2397287 0.86 HDAC1 (0.48) CHRM1HDAC1HDAC6
SCHEMBL12310583 0.83 HDAC1 (0.56) CHRM1HDAC1HDAC6CSNK2A2CSNK2B
SCHEMBL8010329 0.81 HDAC1 (0.43) CHRM1HDAC1HDAC6LMNACSNK2A2
SCHEMBL2397468 0.79 CHRM1 (0.53) CHRM1LMNATOP1
SCHEMBL15579849 0.78 HDAC1 (0.42) CHRM1HDAC1HDAC6LMNATOP1
SCHEMBL15579846 0.78 CHRM1 (0.52) CHRM1LMNATOP1
SCHEMBL2394809 0.77 KDM4E (0.43) HDAC1HDAC6LMNAGAA
SCHEMBL8010272 0.77 CHRM1 (0.51) CHRM1LMNATOP1
SCHEMBL2393836 0.76 CHRM1 (0.49) CHRM1LMNATOP1

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-8022215-B2 Fused pyridone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2011-09-20 US disclosed
US-8022215-B2 Fused pyridone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2011-09-20 US disclosed
US-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
US-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
WO-2009102588-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-08-20 WO 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-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, CHRM4 CHRM1 1/4885HDAC1 1696/4885HDAC6 4362/4885

“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.