SCHEMBL1769667

SCHEMBL1769667

CN1CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)C(c2cccc(F)c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.47
▸ PRKCA P17252 1/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ RORC P51449 8/20 0.37
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL1769586 0.89 KCNH2 (0.50) KCNH2PRKCAPTPN2HTR7RORC
SCHEMBL13504803 0.87 RORC (0.36) KCNH2PRKCAPTPN2HTR7RORC
SCHEMBL1769525 0.76 KDM4E (0.49) KCNH2HPGDRXFP1ALDH1A1KDM4E
SCHEMBL3777490 0.74 KCNH2 (0.58) KCNH2PRKCAPTPN2HTR7
SCHEMBL8034405 0.71 PRKCA (0.55) KCNH2PRKCAPTPN2HTR7HPGD
SCHEMBL30153039 0.71 KCNH2 (0.71) KCNH2PRKCAPTPN2HTR7HPGD
SCHEMBL6369605 0.70 KCNH2 (0.56) KCNH2PRKCAPTPN2HTR7HPGD
SCHEMBL13016557 0.69 KCNH2 (0.74) KCNH2PRKCAPTPN2HTR7GAA
SCHEMBL3059138 0.69 PRKCA (0.69) KCNH2PRKCAPTPN2HTR7ALDH1A1
SCHEMBL1769593 0.68 KCNH2 (0.70) 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 12 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
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

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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