SCHEMBL2685404

SCHEMBL2685404

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.38
LMNA P02545 7/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
ALDH1A1 P00352 5/20 0.36
PKM P14618 5/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL2685402 1.00 RORC (0.38) RORCLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL2682727 0.95 LMNA (0.37) RORCLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL2683185 0.95 LMNA (0.37) RORCLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL2683181 0.95 LMNA (0.37) RORCLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL2684839 0.94 LMNA (0.35) RORCLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL2684836 0.94 LMNA (0.35) RORCLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL2685043 0.93 LMNA (0.40) RORCLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL2683171 0.93 LMNA (0.37) RORCLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL2683131 0.93 LMNA (0.37) RORCLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL2683132 0.93 LMNA (0.37) RORCLMNASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS HEROLD PETER (CH) 2012-05-10 US disclosed
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-10-29 US disclosed
EP-1863763-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
EP-1816122-A2 3,4,5-substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2007-08-08 EP disclosed
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 US disclosed
WO-2006103275-A1 3,4,5-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 (3 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-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ RORC 4667/4885LMNA 390/4885SMN1; SMN2 1003/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 RORC 4500/4885LMNA 536/4885SMN1; SMN2 4302/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 RORC 4506/4885LMNA 508/4885SMN1; SMN2 4254/4885

“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.