SCHEMBL6370100

SCHEMBL6370100

CCOC(=O)C1CN(CC)Cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 17/20 0.53
CHRM4 P08173 17/20 0.53
CHRM5 P08912 17/20 0.53
CHRM1 P11229 17/20 0.53
CHRM3 P20309 17/20 0.53
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4720088 0.76 PIN1 (0.52) MEN1KMT2A
SCHEMBL9831234 0.75 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30472756 0.74 LTA4H (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30472758 0.74 LTA4H (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29037096 0.73 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2115724 0.73 ALDH1A1 (0.51) MEN1KMT2A
SCHEMBL4003083 0.73 GRIN1 (0.51)
SCHEMBL5897623 0.72 MEN1 (0.48) MEN1KMT2A
SCHEMBL6369816 0.71 SLC6A2 (0.46) KMT2A
SCHEMBL19417331 0.70 MAPT (0.52) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268280-B1 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-04-24 EP disclosed
US-8173672-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-08 US disclosed
US-8173672-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-08 US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 US disclosed
WO-2009117283-A2 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-09-24 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-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 CHRM2 2/4885CHRM4 4/4885CHRM5 5/4885

“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.