Sugi Predict

Sugi Predict / Compounds / SCHEMBL3465115

SCHEMBL3465115

SCHEMBL3465115

COCCCN1CCOc2ccc(CO[C@H]3CN[C@H](CC(C)(C)C(=O)NC4CCOCC4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.34
▸ MCHR1 Q99705 5/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ 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
▸ TP53 P04637 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
▸ CCNE1 P24864 2/20 0.31
▸ CDK2 P24941 2/20 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
SCHEMBL2920669 1.00 REN (0.34) RENMCHR1CNR1CNR2ALDH1A1
SCHEMBL8259379 1.00 REN (0.34) RENMCHR1CNR1CNR2ALDH1A1
SCHEMBL8258770 0.95 REN (0.35) RENMCHR1ALDH1A1MAPTMEN1
SCHEMBL3465525 0.95 REN (0.35) RENMCHR1ALDH1A1MAPTMEN1
SCHEMBL2918953 0.95 REN (0.37) RENMCHR1ALDH1A1MAPTMEN1
SCHEMBL2916390 0.92 REN (0.34) RENMCHR1CNR1CNR2ALDH1A1
SCHEMBL3466476 0.91 REN (0.35) RENALDH1A1MAPTLMNAKMT2A
SCHEMBL4583132 0.91 REN (0.35) RENALDH1A1MAPTLMNAKMT2A
SCHEMBL8257866 0.91 REN (0.35) RENALDH1A1MAPTLMNAKMT2A
SCHEMBL3561065 0.90 REN (0.36) RENALDH1A1MAPTKMT2ATP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885MCHR1 4677/4885CNR1 3458/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885MCHR1 3972/4885CNR1 712/4885

“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.