SCHEMBL2683301

SCHEMBL2683301

CCc1ccc([C@H]2[C@H](O)CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
REN P00797 1/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 4/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
GAA P10253 1/20 0.34
RORC P51449 2/20 0.34
PKM P14618 3/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5278364 1.00 CYP2C9 (0.39) CYP2C9RENKMT2APOLBMAPT
SCHEMBL5291687 0.95 KMT2A (0.38) CYP2C9RENKMT2APOLBMAPT
SCHEMBL2683488 0.95 KMT2A (0.38) CYP2C9RENKMT2APOLBMAPT
SCHEMBL2683572 0.95 KMT2A (0.38) CYP2C9RENKMT2APOLBMAPT
SCHEMBL2683168 0.94 KMT2A (0.38) CYP2C9RENKMT2APOLBMAPT
SCHEMBL3905637 0.94 PKM (0.39) CYP2C9RENKMT2APOLBMAPT
SCHEMBL2683091 0.93 LMNA (0.38) CYP2C9RENKMT2APOLBMAPT
SCHEMBL5276185 0.93 LMNA (0.38) CYP2C9RENKMT2APOLBMAPT
SCHEMBL2682373 0.93 LMNA (0.38) CYP2C9RENKMT2APOLBMAPT
SCHEMBL2682372 0.91 KMT2A (0.36) CYP2C9RENKMT2APOLBMAPT

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 CYP2C9 3452/4885REN 119/4885KMT2A 3247/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 CYP2C9 976/4885REN 1/4885KMT2A 3806/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 CYP2C9 996/4885REN 1/4885KMT2A 3683/4885

“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.