Sugi Predict

Sugi Predict / Compounds / SCHEMBL2923347

SCHEMBL2923347

SCHEMBL2923347

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CCC(=O)O)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.36
▸ FKBP1A P62942 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL2919675 0.96 CYP2C9 (0.35) LMNAFKBP1ACYP2C9KMT2A
SCHEMBL5508707 0.96 FKBP1A (0.36) LMNAFKBP1ACYP2C9ALDH1A1USP2
SCHEMBL2924197 0.96 FKBP1A (0.36) LMNAFKBP1ACYP2C9ALDH1A1USP2
SCHEMBL2915001 0.94 FKBP1A (0.38) LMNAFKBP1ACYP2C9ALDH1A1USP2
SCHEMBL2925399 0.93 CYP2C9 (0.35) LMNACYP2C9ALDH1A1GAAMAPT
SCHEMBL2923354 0.93 FKBP1A (0.35) LMNAFKBP1ACYP2C9ALDH1A1USP2
SCHEMBL2916824 0.93 FKBP1A (0.35) LMNAFKBP1ACYP2C9ALDH1A1USP2
SCHEMBL2917136 0.93 NPC1 (0.35) LMNAFKBP1ACYP2C9ALDH1A1USP2
SCHEMBL2919704 0.93 NPC1 (0.35) LMNAFKBP1ACYP2C9ALDH1A1USP2
SCHEMBL2920511 0.92 LMNA (0.34) LMNAFKBP1ACYP2C9ALDH1A1USP2

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 LMNA 655/4885FKBP1A 3930/4885CYP2C9 3835/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 LMNA 2502/4885FKBP1A 3129/4885CYP2C9 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.