SCHEMBL1769576

SCHEMBL1769576

O=C(O)c1cc(CN2CCCNCC2)c2ccccn2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.62
▸ PRKCA P17252 1/20 0.55
▸ PTPN2 P17706 1/20 0.55
▸ HTR7 P34969 1/20 0.55
▸ HTR6 P50406 3/20 0.40
▸ CXCR4 P61073 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ CXCL12 P48061 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ KDM5C P41229 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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 0.90 KCNH2 (0.71) KCNH2PRKCAPTPN2HTR7MEN1
SCHEMBL13504917 0.84 KCNH2 (0.45) KCNH2PRKCAPTPN2HTR7HTR6
SCHEMBL1769593 0.82 KCNH2 (0.70) KCNH2PRKCAPTPN2HTR7
SCHEMBL8027494 0.77 KCNH2 (0.81) KCNH2PRKCAPTPN2HTR7GAA
SCHEMBL13016557 0.77 KCNH2 (0.74) KCNH2PRKCAPTPN2HTR7CHRM2
SCHEMBL1769634 0.76 KCNH2 (1.00) KCNH2PRKCAPTPN2HTR7
SCHEMBL898696 0.75 ALDH1A1 (0.54) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL6888447 0.75 PRKCA (0.77) KCNH2PRKCAPTPN2HTR7
SCHEMBL3777490 0.75 KCNH2 (0.58) KCNH2PRKCAPTPN2HTR7SIGMAR1
SCHEMBL7999079 0.74 KCNH2 (0.56) KCNH2PRKCAPTPN2HTR7MEN1

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 16 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-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2010-11-03 — — EP claimed
WO-2009094279-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-07-30 — — WO 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.

Send feedback