SCHEMBL2396693

SCHEMBL2396693

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.46
PDE3A Q14432 5/20 0.46
LMNA P02545 2/20 0.44
P2RX3 P56373 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRK1 P41145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
P2RX7 Q99572 1/20 0.36
EPHX2 P34913 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL2394956 0.89 ATM (0.46) PDE3BPDE3AP2RX3L3MBTL1KDM4E
SCHEMBL2395477 0.86 LMNA (0.39) LMNAHDAC1HDAC6
SCHEMBL2396737 0.81 HDAC1 (0.52) PDE3BPDE3ALMNAP2RX3HTT
SCHEMBL2394880 0.77 ATM (0.44) PDE3BPDE3AP2RX3L3MBTL1KDM4E
SCHEMBL2397468 0.74 CHRM1 (0.53) LMNA
SCHEMBL16341783 0.72 CNR2 (0.63) LMNAP2RX3
SCHEMBL2397287 0.69 HDAC1 (0.48) PDE3BPDE3AP2RX3L3MBTL1KDM4E
SCHEMBL17346999 0.68 LMNA (0.76) LMNAP2RX3ALDH1A1
SCHEMBL15519278 0.68 HCRTR1 (0.41) L3MBTL1
SCHEMBL10047907 0.67 P2RX3 (0.69) LMNAP2RX3ALDH1A1SMN1; SMN2

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 3 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

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 PDE3B 932/4885PDE3A 980/4885LMNA 3841/4885

“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.