SCHEMBL2685034

SCHEMBL2685034

COCCCO[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C[C@H](OCc2ccc3c(c2)N(CCCOC)CCO3)[C@H]1c1ccc(COCC2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
PKM P14618 6/20 0.35
ALDH1A1 P00352 5/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 3/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34
REN P00797 1/20 0.34
MAPT P10636 3/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 2/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL2683348 0.95 LMNA (0.35) LMNASMN1; SMN2PKMALDH1A1POLB
SCHEMBL2683569 0.94 POLB (0.36) LMNASMN1; SMN2PKMALDH1A1POLB
SCHEMBL2685043 0.93 LMNA (0.40) LMNASMN1; SMN2PKMALDH1A1POLB
SCHEMBL4526958 0.93 POLB (0.34) LMNASMN1; SMN2PKMALDH1A1POLB
SCHEMBL2684722 0.93 POLB (0.34) LMNASMN1; SMN2PKMALDH1A1POLB
SCHEMBL2684720 0.93 POLB (0.34) LMNASMN1; SMN2PKMALDH1A1POLB
SCHEMBL2685076 0.93 POLB (0.34) LMNASMN1; SMN2PKMALDH1A1POLB
SCHEMBL2689619 0.93 LMNA (0.33) LMNASMN1; SMN2PKMALDH1A1POLB
SCHEMBL2683779 0.90 LMNA (0.38) LMNASMN1; SMN2PKMALDH1A1POLB
SCHEMBL2682373 0.90 LMNA (0.38) LMNASMN1; SMN2PKMALDH1A1POLB

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 4 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-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

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 LMNA 390/4885SMN1; SMN2 1003/4885PKM 726/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 LMNA 536/4885SMN1; SMN2 4302/4885PKM 830/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 LMNA 508/4885SMN1; SMN2 4254/4885PKM 693/4885

“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.