Sugi Predict

Sugi Predict / Compounds / SCHEMBL2923921

SCHEMBL2923921

SCHEMBL2923921

COCCCN1CCOc2ccc(CO[C@H]3CN[C@@H](CC(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 5/20 0.34
▸ RORC P51449 4/20 0.33
▸ MCHR1 Q99705 3/20 0.32
▸ THRB P10828 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ CCNE1 P24864 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
SCHEMBL2923919 1.00 REN (0.34) RENRORCMCHR1THRBALDH1A1
SCHEMBL2924429 0.89 REN (0.35) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL13435437 0.89 REN (0.35) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL2924426 0.89 REN (0.35) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL3465083 0.89 REN (0.34) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL2922681 0.89 REN (0.34) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL3556958 0.89 REN (0.35) RENRORCTHRBALDH1A1CYP3A4
SCHEMBL8259379 0.89 REN (0.34) RENMCHR1THRBALDH1A1CYP3A4
SCHEMBL2920669 0.89 REN (0.34) RENMCHR1THRBALDH1A1CYP3A4
SCHEMBL3465115 0.89 REN (0.34) RENMCHR1THRBALDH1A1CYP3A4

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 4757/4885MCHR1 4677/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885RORC 2727/4885MCHR1 3972/4885

“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.