Sugi Predict

Sugi Predict / Compounds / SCHEMBL2923638

SCHEMBL2923638

SCHEMBL2923638

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.35
▸ THRB P10828 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CACNA1S Q13698 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
SCHEMBL8455576 1.00 REN (0.35) RENTHRBCYP2D6ALDH1A1CYP3A4
SCHEMBL2917460 0.97 REN (0.35) RENTHRBCYP2D6ALDH1A1CYP3A4
SCHEMBL14272005 0.94 REN (0.36) RENTHRBCYP2D6ALDH1A1CYP3A4
SCHEMBL2925320 0.94 REN (0.36) RENTHRBCYP2D6ALDH1A1CYP3A4
SCHEMBL3561065 0.94 REN (0.36) RENTHRBCYP2D6ALDH1A1CYP3A4
SCHEMBL1040158 0.93 REN (0.36) RENTHRBCYP2D6ALDH1A1CYP3A4
SCHEMBL2920516 0.92 REN (0.36) RENTHRBCYP2D6ALDH1A1CYP3A4
SCHEMBL3466476 0.91 REN (0.35) RENTHRBCYP2D6ALDH1A1CYP3A4
SCHEMBL4583132 0.91 REN (0.35) RENTHRBCYP2D6ALDH1A1CYP3A4
SCHEMBL8257866 0.91 REN (0.35) RENTHRBCYP2D6ALDH1A1CYP3A4

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 1/4885THRB 2490/4885CYP2D6 1187/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885THRB 1811/4885CYP2D6 44/4885

“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.