SCHEMBL12265152

SCHEMBL12265152

CC(C)(C)[C@H]1CCCC[C@@H]1NS(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HCRTR2 O43614 14/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL4836163 0.80 POLB (0.41) POLBHCRTR2ALDH1A1NPSR1CA12
SCHEMBL4836171 0.80 POLB (0.41) POLBHCRTR2ALDH1A1NPSR1CA12
SCHEMBL4836161 0.80 POLB (0.41) POLBHCRTR2ALDH1A1NPSR1CA12
SCHEMBL15314096 0.72 ALDH1A1 (0.45) POLBHCRTR2ALDH1A1LMNANPSR1
SCHEMBL3228143 0.72 POLB (0.37) POLBHCRTR2ALDH1A1NPSR1CA12
SCHEMBL24954674 0.72
SCHEMBL12265153 0.72
SCHEMBL12017966 0.71 MMP2 (0.40) POLBHCRTR2NPSR1CA12CA1
SCHEMBL12017953 0.71 MMP2 (0.40) POLBHCRTR2NPSR1CA12CA1
SCHEMBL5181981 0.71 CA1 (0.40) POLBHCRTR2ALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557832-B2 Aryl methyl benzoquinazolinine M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-09-15 US 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-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 POLB 3806/4885HCRTR2 250/4885ALDH1A1 2974/4885

“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.