Sugi Predict

Sugi Predict / Compounds / SCHEMBL2919377

SCHEMBL2919377

SCHEMBL2919377

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.37
▸ RORC P51449 4/20 0.33
▸ THRB P10828 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TP53 P04637 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
SCHEMBL2925073 0.93 REN (0.36) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL2925028 0.93 REN (0.36) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL2925318 0.91 REN (0.37) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL2919180 0.91 REN (0.35) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL3558905 0.91 REN (0.37) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL3557355 0.91 REN (0.35) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL8471181 0.91 REN (0.37) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL2920660 0.91 REN (0.36) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL8473606 0.91 REN (0.36) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL3556956 0.89 REN (0.35) RENRORCTHRBALDH1A1CYP3A4

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 1/4885RORC 4757/4885THRB 2490/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885RORC 2727/4885THRB 1811/4885

“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.