SCHEMBL2920480

SCHEMBL2920480

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 6/20 0.34
CASP7 P55210 6/20 0.34
CYP2C9 P11712 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
RORC P51449 3/20 0.32
REN P00797 2/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 1/20 0.30
ADAM17 P78536 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
SCHEMBL2926048 0.96 LMNA (0.34) CASP3CASP7CYP2C9RORCREN
SCHEMBL2915939 0.93 CASP3 (0.33) CASP3CASP7CYP2C9RENKMT2A
SCHEMBL2920573 0.93 CYP2C9 (0.34) CASP3CASP7CYP2C9ESR1ESR2
SCHEMBL2924719 0.92 CYP2C9 (0.35) CASP3CASP7CYP2C9ESR1ESR2
SCHEMBL2919239 0.91 RORC (0.35) CASP3CASP7CYP2C9ESR1ESR2
SCHEMBL2919274 0.91 RORC (0.35) CASP3CASP7CYP2C9ESR1ESR2
SCHEMBL2919237 0.91 RORC (0.35) CASP3CASP7CYP2C9ESR1ESR2
SCHEMBL2919675 0.91 CYP2C9 (0.35) CASP3CASP7CYP2C9ESR1ESR2
SCHEMBL2922299 0.91 NPC1 (0.34) CASP3CASP7CYP2C9RORCREN
SCHEMBL3950592 0.91 NPC1 (0.34) CASP3CASP7CYP2C9RORCREN

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 8 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
EP-1897879-A2 2,4,5 substituted piperidines as renin inhibitors Speedel Experimenta AG (CH) 2008-03-12 EP disclosed
EP-1863803-A2 SUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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 (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 CASP3 1660/4885CASP7 1410/4885CYP2C9 3835/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 CASP3 2442/4885CASP7 2251/4885CYP2C9 171/4885

“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.