SCHEMBL3941797

SCHEMBL3941797

COCCCN1C(=O)COc2ccc(CO[C@@H]3CC[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N(S(=O)(=O)c4ccc(C)cc4)C3)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
POLB P06746 3/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
REN P00797 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 2/20 0.36
CASP3 P42574 4/20 0.36
CASP7 P55210 3/20 0.36

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
SCHEMBL3928296 0.87 REN (0.35) POLBKMT2ARENCASP3CASP7
SCHEMBL2916072 0.85 MAPT (0.37) TSHRPOLBTP53RENMAPT
SCHEMBL1036302 0.84 TSHR (0.37) TSHRPOLBTP53KMT2AREN
SCHEMBL1035254 0.83 TSHR (0.38) TSHRPOLBTP53KMT2AMAPT
SCHEMBL3935727 0.77 CASP3 (0.39) POLBKMT2ARENMAPTCASP3
SCHEMBL3935732 0.77 CASP3 (0.39) POLBKMT2ARENMAPTCASP3
SCHEMBL3930174 0.77 FKBP1A (0.42) TSHRPOLBKMT2AMAPTCASP3
SCHEMBL2683234 0.77 REN (0.40) TSHRPOLBTP53KMT2AREN
SCHEMBL3940425 0.77 FKBP1A (0.34) CASP3CASP7
SCHEMBL3930886 0.77 CYP2C9 (0.36) POLBKMT2ARENMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 TSHR 853/4885POLB 2600/4885TP53 4824/4885

“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.