SCHEMBL2394956

SCHEMBL2394956

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
P2RX3 P56373 1/20 0.43
GNRHR P30968 7/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
P2RX7 Q99572 1/20 0.41
CHRM1 P11229 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
F2RL3 Q96RI0 1/20 0.39
PIM1 P11309 1/20 0.39
IRAK1 P51617 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
PIM3 Q86V86 1/20 0.39
HCRTR1 O43613 1/20 0.39

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
SCHEMBL2394880 0.89 ATM (0.44) ATML3MBTL1P2RX3GNRHRKDM4E
SCHEMBL2396693 0.89 PDE3B (0.46) L3MBTL1P2RX3KDM4EALDH1A1CRHBP
SCHEMBL2397468 0.87 CHRM1 (0.53) CHRM1
SCHEMBL2397287 0.82 HDAC1 (0.48) ATML3MBTL1P2RX3GNRHRKDM4E
SCHEMBL15519278 0.81 HCRTR1 (0.41) ATML3MBTL1CHRM1HCRTR1HCRTR2
SCHEMBL2395575 0.80 HCRTR1 (0.43) CHRM1HCRTR1HCRTR2
SCHEMBL12310584 0.78 HCRTR1 (0.38) ATML3MBTL1ALDH1A1CHRM1HCRTR1
SCHEMBL15579846 0.78 CHRM1 (0.52) CHRM1
SCHEMBL8007510 0.78 CHRM1 (0.43) CHRM1
SCHEMBL2393836 0.78 CHRM1 (0.49) CHRM1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252299-B1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
EP-2252299-B1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
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-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
US-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
EP-2252299-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2010-11-24 EP disclosed
WO-2009102588-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-08-20 WO 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 ATM 3355/4885L3MBTL1 3265/4885P2RX3 62/4885

“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.