Sugi Predict

Sugi Predict / Compounds / SCHEMBL2918953

SCHEMBL2918953

SCHEMBL2918953

COCCCN1CCOc2ccc(CO[C@H]3CN[C@H](CC(C)(C)C(=O)NC4CCNCC4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 13/20 0.37
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ THRB P10828 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30
▸ MCHR1 Q99705 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
SCHEMBL3465525 0.95 REN (0.35) RENALDH1A1MAPTMEN1LMNA
SCHEMBL2920669 0.95 REN (0.34) RENALDH1A1MAPTMEN1LMNA
SCHEMBL8259379 0.95 REN (0.34) RENALDH1A1MAPTMEN1LMNA
SCHEMBL8258770 0.95 REN (0.35) RENALDH1A1MAPTMEN1LMNA
SCHEMBL3465115 0.95 REN (0.34) RENALDH1A1MAPTMEN1LMNA
SCHEMBL8257866 0.91 REN (0.35) RENALDH1A1MAPTLMNAKMT2A
SCHEMBL4583132 0.91 REN (0.35) RENALDH1A1MAPTLMNAKMT2A
SCHEMBL3466476 0.91 REN (0.35) RENALDH1A1MAPTLMNAKMT2A
SCHEMBL3561065 0.90 REN (0.36) RENALDH1A1MAPTKMT2ATHRB
SCHEMBL2920516 0.90 REN (0.36) RENALDH1A1MAPTMEN1KMT2A

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 10 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-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 — — US 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
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
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 — — US 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 REN 1/4885ALDH1A1 435/4885MAPT 3109/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885ALDH1A1 222/4885MAPT 4219/4885

“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.