SCHEMBL3429708

SCHEMBL3429708

Cn1c(C2CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.54
▸ PRKCA P17252 1/20 0.50
▸ PTPN2 P17706 1/20 0.50
▸ HTR7 P34969 1/20 0.50
▸ HTR2B P41595 1/20 0.48
▸ DRD2 P14416 2/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ GRM2 Q14416 2/20 0.45
▸ HRH1 P35367 3/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ PARP1 P09874 1/20 0.41
▸ MCHR1 Q99705 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
SCHEMBL15673553 0.87 HTR2B (0.46) KCNH2HTR2BDRD2DRD4DRD3
SCHEMBL3777490 0.78 KCNH2 (0.58) KCNH2PRKCAPTPN2HTR7DRD2
SCHEMBL30153039 0.78 KCNH2 (0.71) KCNH2PRKCAPTPN2HTR7PARP1
SCHEMBL3435868 0.76 KCNH2 (0.73) KCNH2PRKCAPTPN2HTR7DRD2
SCHEMBL1769593 0.75 KCNH2 (0.70) KCNH2PRKCAPTPN2HTR7
SCHEMBL1769576 0.72 KCNH2 (0.62) KCNH2PRKCAPTPN2HTR7
SCHEMBL6369605 0.70 KCNH2 (0.56) KCNH2PRKCAPTPN2HTR7
SCHEMBL3783072 0.70 PRKCA (0.53) KCNH2PRKCAPTPN2HTR7HTR2B
SCHEMBL3783069 0.70 PRKCA (0.53) KCNH2PRKCAPTPN2HTR7HTR2B
SCHEMBL8027494 0.70 KCNH2 (0.81) KCNH2PRKCAPTPN2HTR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252151-B1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-05-14 — — EP claimed
US-8288409-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-16 — — US claimed
US-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 — — US claimed
EP-2252151-B1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-05-14 — — EP disclosed
EP-2252151-B1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-05-14 — — EP disclosed
US-8288409-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-16 — — US disclosed
US-8288409-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-16 — — US disclosed
US-8288409-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-16 — — US disclosed
US-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 — — US disclosed
US-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 — — US disclosed
US-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 — — US disclosed
EP-2252151-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2010-11-24 — — EP disclosed
WO-2009102574-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-08-20 — — WO disclosed
WO-2009102574-A1 QUINOLIZIDINONE 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-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 KCNH2 487/4885PRKCA 1788/4885PTPN2 1645/4885

“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.

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