SCHEMBL1036293

SCHEMBL1036293

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
LMNA P02545 7/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
ALDH1A1 P00352 5/20 0.33
PKM P14618 5/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
REN P00797 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
RORC P51449 2/20 0.31
MEN1 O00255 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
SCHEMBL4959467 0.95 CYP2C9 (0.36) CYP2C9LMNASMN1; SMN2KMT2APOLB
SCHEMBL2922224 0.95 CYP2C9 (0.34) CYP2C9LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL1037150 0.94 LMNA (0.34) CYP2C9LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL2918019 0.94 LMNA (0.34) CYP2C9LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL1517806 0.93 CYP2C9 (0.33) CYP2C9LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL1517808 0.93 CYP2C9 (0.33) CYP2C9LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL1041114 0.93 CYP2C9 (0.35) CYP2C9LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL1037312 0.93 RORC (0.34) CYP2C9LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL1035281 0.93 RORC (0.34) CYP2C9LMNASMN1; SMN2ALDH1A1PKM
SCHEMBL1035280 0.93 RORC (0.34) CYP2C9LMNASMN1; SMN2ALDH1A1PKM

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP 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
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO 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-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 CYP2C9 171/4885LMNA 2502/4885SMN1; SMN2 2529/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 CYP2C9 882/4885LMNA 948/4885SMN1; SMN2 2737/4885

“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.