SCHEMBL3454666

SCHEMBL3454666

CCOC(CC(C#N)P(=O)(OCC)OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3453879 0.80 MEN1 (0.33)
SCHEMBL5105445 0.79 TSHR (0.46) TSHRACHEPOLBTP53TDP1
SCHEMBL7714646 0.76 TSHR (0.43) TSHRACHEPOLBTP53TDP1
SCHEMBL11506184 0.73 TSHR (0.37) TSHRPOLBTP53TDP1
SCHEMBL9840159 0.73 TSHR (0.40) TSHRACHEPOLBTP53TDP1
SCHEMBL22455362 0.69 TSHR (0.42) TSHRACHEPOLBTP53TDP1
SCHEMBL124930 0.69 TSHR (0.42) TSHRACHEPOLBTP53TDP1
SCHEMBL1241061 0.68 POLB (0.49) POLB
SCHEMBL9921790 0.68 THRB (0.35)
SCHEMBL23774976 0.67 TSHR (0.41) TSHRACHEPOLBTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858824-B2 Aralkyltetrahydropyridines, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2010-12-28 US disclosed
US-20080097117-A1 Aralkyltetrahydropyridines, Their Preparation and Pharmaceutical Compositions Containing Them SANOFI-AVENTIS (FR) 2008-04-24 US disclosed
US-7326723-B2 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-02-05 US disclosed
US-20050014795-A1 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2005-01-20 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 (2 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-20050014795-A1 Aralkyl-tetrahydro-pyridines, their preparation and pharmaceutical compositions containing same CYCS, NADK, CYP2F1 TSHR 3271/4885ACHE 1782/4885POLB 2545/4885
US-20080097117-A1 Aralkyltetrahydropyridines, Their Preparation and Pharmaceutical Compositions Containing Them CYP3A43, CYCS, CCNY TSHR 2962/4885ACHE 487/4885POLB 3169/4885

“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.