SCHEMBL2394880

SCHEMBL2394880

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GNRHR P30968 6/20 0.43
P2RX3 P56373 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
P2RX7 Q99572 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CHRM1 P11229 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TOP1 P11387 2/20 0.38
F2RL3 Q96RI0 1/20 0.38

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
SCHEMBL2393836 0.90 CHRM1 (0.49) HCRTR1HCRTR2CHRM1TOP1
SCHEMBL2394956 0.89 ATM (0.46) ATML3MBTL1GNRHRP2RX3KDM4E
SCHEMBL15520697 0.82 HCRTR1 (0.43) ATML3MBTL1P2RX7HCRTR1HCRTR2
SCHEMBL2397287 0.80 HDAC1 (0.48) ATML3MBTL1GNRHRP2RX3KDM4E
SCHEMBL2396693 0.77 PDE3B (0.46) L3MBTL1P2RX3KDM4EALDH1A1CRHBP
SCHEMBL15579846 0.77 CHRM1 (0.52) CHRM1TOP1
SCHEMBL10277158 0.76 L3MBTL1 (0.44) ATML3MBTL1P2RX3KDM4EALDH1A1
SCHEMBL2397468 0.76 CHRM1 (0.53) CHRM1TOP1
SCHEMBL8010332 0.74 CHRM1 (0.49) CHRM1TOP1
SCHEMBL11895496 0.73 P2RX3 (0.62) L3MBTL1P2RX3CHRM1F2RL3

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-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-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

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 3265/4885GNRHR 1663/4885

“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.