SCHEMBL2916830

SCHEMBL2916830

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)[C@H](CC(=O)N(C)Cc4c[nH]c5ccccc45)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE5A O76074 1/20 0.31
TACR1 P25103 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL2914580 0.91 CACNA1S (0.34) TACR1TP53CACNA1S
SCHEMBL3558620 0.89 POLB (0.36) POLB
SCHEMBL2921748 0.89 TMEM97 (0.34) MEN1KMT2ATP53CACNA1S
SCHEMBL2922473 0.86 TMEM97 (0.35) TP53CACNA1S
SCHEMBL2924269 0.86 MEN1 (0.34) MEN1KMT2ATACR1TP53POLB
SCHEMBL2917220 0.86 CACNA1S (0.32) CACNA1S
SCHEMBL2921446 0.86 MAPT (0.31) MAPTCACNA1S
SCHEMBL2923072 0.85 TP53 (0.35) TP53MAPTCACNA1S
SCHEMBL2925215 0.84 TP53 (0.37) TP53CACNA1S
SCHEMBL2925718 0.84 TMEM97 (0.33) MEN1KMT2ATP53CACNA1S

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 7 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-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
EP-1863803-A2 SUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO 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 MEN1 3984/4885KMT2A 2879/4885PDE5A 1519/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 MEN1 2843/4885KMT2A 2739/4885PDE5A 50/4885

“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.