SCHEMBL3930636

SCHEMBL3930636

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC#N)N(S(=O)(=O)c4ccc(C)cc4)C3)cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
REN P00797 1/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 4/20 0.34
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
USP30 Q70CQ3 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD4 P21917 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
RORC P51449 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
SCHEMBL3937583 0.93 CYP2C9 (0.34) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3930886 0.91 CYP2C9 (0.36) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3935953 0.91 CYP2C9 (0.38) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3935727 0.90 CASP3 (0.39) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL4056435 0.90 CYP2C9 (0.35) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3934977 0.90 CYP2C9 (0.37) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3929991 0.90 CYP2C9 (0.35) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3935732 0.90 CASP3 (0.39) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3929981 0.89 POLB (0.39) CYP2C9RENPOLBKMT2ACASP3
SCHEMBL3938539 0.89 RORC (0.36) CYP2C9RENPOLBKMT2AMAPT

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-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO 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 CYP2C9 619/4885REN 1/4885POLB 2600/4885

“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.