SCHEMBL2913287

SCHEMBL2913287

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CCC(=O)OC)C[C@@H]3c3ccc(COCCOC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
POLB P06746 2/20 0.33
RORC P51449 5/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
REN P00797 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 2/20 0.31
THRB P10828 1/20 0.31
GAA P10253 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
SCHEMBL2925399 0.95 CYP2C9 (0.35) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL1517793 0.94 CYP2C9 (0.34) CYP2C9POLBRORCRENKMT2A
SCHEMBL1517795 0.94 CYP2C9 (0.34) CYP2C9POLBRORCRENKMT2A
SCHEMBL2922224 0.93 CYP2C9 (0.34) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL2389462 0.92 CYP2C9 (0.33) CYP2C9POLBRORCREN
SCHEMBL2389465 0.92 CYP2C9 (0.33) CYP2C9POLBRORCREN
SCHEMBL1036293 0.91 CYP2C9 (0.35) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL3945985 0.91 CYP2C9 (0.36) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL1041114 0.91 CYP2C9 (0.35) CYP2C9POLBRORCLMNASMN1; SMN2
SCHEMBL1037105 0.91 CYP2C9 (0.35) CYP2C9POLBRORCLMNASMN1; SMN2

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-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP 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 CYP2C9 3835/4885POLB 2005/4885RORC 4757/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 CYP2C9 171/4885POLB 2217/4885RORC 2727/4885

“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.