SCHEMBL2915939

SCHEMBL2915939

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33
LMNA P02545 6/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
CYP2C9 P11712 1/20 0.32
PKM P14618 4/20 0.32
ALDH1A1 P00352 4/20 0.32
REN P00797 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 2/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.30
ATM Q13315 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL1040142 0.95 LMNA (0.33) CASP3CASP7LMNASMN1; SMN2CYP2C9
SCHEMBL4539304 0.95 LMNA (0.33) CASP3CASP7LMNASMN1; SMN2CYP2C9
SCHEMBL1517921 0.94 CASP3 (0.31) CASP3CASP7CYP2C9
SCHEMBL2926048 0.93 LMNA (0.34) CASP3CASP7LMNASMN1; SMN2CYP2C9
SCHEMBL2920480 0.93 CASP3 (0.34) CASP3CASP7CYP2C9RENKMT2A
SCHEMBL2922224 0.93 CYP2C9 (0.34) CASP3LMNASMN1; SMN2CYP2C9PKM
SCHEMBL2387367 0.92 CASP3 (0.30) CASP3CASP7
SCHEMBL1036293 0.91 CYP2C9 (0.35) LMNASMN1; SMN2CYP2C9PKMALDH1A1
SCHEMBL1037150 0.91 LMNA (0.34) CASP3CASP7LMNASMN1; SMN2CYP2C9
SCHEMBL2918019 0.91 LMNA (0.34) CASP3CASP7LMNASMN1; SMN2CYP2C9

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 CASP3 1660/4885CASP7 1410/4885LMNA 655/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 CASP3 2442/4885CASP7 2251/4885LMNA 2502/4885

“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.