Sugi Predict

Sugi Predict / Compounds / SCHEMBL2923459

SCHEMBL2923459

SCHEMBL2923459

COCCCOc1ccc([C@H]2C[C@H](CC(C)(C)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 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.34
▸ CASP3 P42574 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RORC P51449 5/20 0.32
▸ MMP1 P03956 2/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ REN P00797 2/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP7 P09237 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ THRB P10828 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
SCHEMBL2914012 0.96 SMN1; SMN2 (0.35) CYP2C9POLBKMT2AMAPTSMN1; SMN2
SCHEMBL2924793 0.96 SMN1; SMN2 (0.35) CYP2C9POLBKMT2AMAPTSMN1; SMN2
SCHEMBL2921489 0.96 SMN1; SMN2 (0.35) CYP2C9POLBKMT2AMAPTSMN1; SMN2
SCHEMBL2925030 0.96 SMN1; SMN2 (0.35) CYP2C9POLBKMT2AMAPTSMN1; SMN2
SCHEMBL2923505 0.93 CYP2C9 (0.34) CYP2C9CASP3CASP7ESR1ESR2
SCHEMBL2924531 0.92 CYP2C9 (0.33) CYP2C9CASP3CASP7ESR1ESR2
SCHEMBL2923447 0.92 CYP2C9 (0.34) CYP2C9CASP3CASP7ESR1ESR2
SCHEMBL2920573 0.91 CYP2C9 (0.34) CYP2C9CASP3CASP7ESR1ESR2
SCHEMBL2917427 0.91 CYP2C9 (0.33) CYP2C9CASP3CASP7ESR1ESR2
SCHEMBL2921908 0.91 CYP2C9 (0.35) CYP2C9CASP3CASP7ESR1ESR2

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 7 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-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 CYP2C9 3835/4885CASP3 1660/4885CASP7 1410/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 CYP2C9 171/4885CASP3 2442/4885CASP7 2251/4885

“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.