SCHEMBL2917427

SCHEMBL2917427

COCCCOc1ccc([C@H]2C[C@H](CC(C)(C)OC(=O)N(C)C)N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
POLB P06746 2/20 0.32
RORC P51449 5/20 0.32
REN P00797 1/20 0.32
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 1/20 0.31
ADAM17 P78536 1/20 0.31
TP53 P04637 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
SCHEMBL2919258 0.96 LMNA (0.34) CYP2C9POLBMAPTTHRBLMNA
SCHEMBL2916555 0.96 LMNA (0.34) CYP2C9POLBMAPTTHRBLMNA
SCHEMBL2923459 0.91 CYP2C9 (0.34) CYP2C9POLBRORCRENCASP3
SCHEMBL2923505 0.91 CYP2C9 (0.34) CYP2C9POLBRORCRENCASP3
SCHEMBL2924531 0.90 CYP2C9 (0.33) CYP2C9POLBRORCRENCASP3
SCHEMBL2923447 0.89 CYP2C9 (0.34) CYP2C9POLBRORCRENCASP3
SCHEMBL2922614 0.89 FKBP1A (0.34) CYP2C9POLBMAPTLMNASMN1; SMN2
SCHEMBL2922339 0.88 FKBP1A (0.36) CYP2C9POLBRORCRENCASP3
SCHEMBL2921908 0.88 CYP2C9 (0.35) CYP2C9POLBRORCRENCASP3
SCHEMBL2924719 0.88 CYP2C9 (0.35) CYP2C9POLBRORCRENCASP3

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-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 EP disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-1958634-A2 Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 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-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 CYP2C9 3835/4885POLB 2005/4885RORC 4757/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 CYP2C9 171/4885POLB 2217/4885RORC 2727/4885

“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.