SCHEMBL1769593

SCHEMBL1769593

O=C(O)c1cc(CN2CCOCC2)c2ccccn2c1=O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.70
▸ PRKCA P17252 1/20 0.58
▸ PTPN2 P17706 1/20 0.58
▸ HTR7 P34969 1/20 0.58
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CNR1 P21554 2/20 0.44
▸ CNR2 P34972 2/20 0.44
▸ CBLB Q13191 3/20 0.42
▸ CYP2A13 Q16696 4/20 0.41
▸ DHODH Q02127 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
SCHEMBL30153039 0.89 KCNH2 (0.71) KCNH2PRKCAPTPN2HTR7CYP2D6
SCHEMBL13504954 0.83 KCNH2 (0.50) KCNH2PRKCAPTPN2HTR7CYP3A4
SCHEMBL8027494 0.82 KCNH2 (0.81) KCNH2PRKCAPTPN2HTR7
SCHEMBL1769576 0.82 KCNH2 (0.62) KCNH2PRKCAPTPN2HTR7
SCHEMBL13016557 0.80 KCNH2 (0.74) KCNH2PRKCAPTPN2HTR7
SCHEMBL1769634 0.80 KCNH2 (1.00) KCNH2PRKCAPTPN2HTR7
SCHEMBL1769673 0.80 KCNH2 (1.00) KCNH2PRKCAPTPN2HTR7
SCHEMBL3777490 0.79 KCNH2 (0.58) KCNH2PRKCAPTPN2HTR7
SCHEMBL6888447 0.79 PRKCA (0.77) KCNH2PRKCAPTPN2HTR7
SCHEMBL7999079 0.78 KCNH2 (0.56) KCNH2PRKCAPTPN2HTR7

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-2244577-B1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2012-10-31 — — EP claimed
US-8273737-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US claimed
US-20110112077-A1 Quinolizidinone m1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-05-12 — — US claimed
EP-2244577-B1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2012-10-31 — — EP disclosed
EP-2244577-B1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2012-10-31 — — EP disclosed
US-8273737-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
US-8273737-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
US-8273737-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-09-25 — — US disclosed
US-20110112077-A1 Quinolizidinone m1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-05-12 — — US disclosed
US-20110112077-A1 Quinolizidinone m1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-05-12 — — US disclosed
US-20110112077-A1 Quinolizidinone m1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-05-12 — — US disclosed
EP-2244577-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2010-11-03 — — EP disclosed
WO-2009094279-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-07-30 — — WO disclosed
WO-2009094279-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-07-30 — — 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-20110112077-A1 Quinolizidinone m1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 KCNH2 501/4885PRKCA 1687/4885PTPN2 1471/4885

“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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