SCHEMBL1769397

SCHEMBL1769397

CC(C)(C)OC(=O)N1CCN(c2ccc3oc(C#N)cc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
EGLN2 Q96KS0 1/20 0.47
PDK2 Q15119 1/20 0.45
RET P07949 2/20 0.45
PIK3CA P42336 1/20 0.44
GPR119 Q8TDV5 5/20 0.43
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 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
SCHEMBL1888484 0.82 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMEN1CYP2C19
SCHEMBL12663220 0.82 ALDH1A1 (0.50) ALDH1A1LMNAMAPTGPR119
SCHEMBL29881025 0.82 ALDH1A1 (0.50) ALDH1A1LMNAMAPTMEN1CYP2C19
SCHEMBL1769434 0.82 ALDH1A1 (0.50) ALDH1A1LMNAMAPTGPR119
SCHEMBL12527408 0.80 ALDH1A1 (0.48) ALDH1A1LMNAMAPTPDK2PIK3CA
SCHEMBL13651528 0.80
SCHEMBL15533835 0.80 EGLN2 (0.57) ALDH1A1LMNAMAPTEGLN2PDK2
SCHEMBL29509737 0.78 MAPT (0.53) ALDH1A1LMNAMAPTPDK2GPR119
SCHEMBL4721986 0.78 MAPT (0.53) ALDH1A1LMNAMAPTPDK2GPR119
SCHEMBL1886952 0.78

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 5 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 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
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 ALDH1A1 1850/4885LMNA 3772/4885MAPT 562/4885

“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.