SCHEMBL2684902

SCHEMBL2684902

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
RORC P51449 8/20 0.34
REN P00797 1/20 0.34
POLB P06746 2/20 0.34
CYP2C9 P11712 1/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 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
SCHEMBL2683664 0.93 LMNA (0.35) KMT2ARORCRENPOLBMAPT
SCHEMBL2683799 0.90 KMT2A (0.35) KMT2ARORCRENPOLBCYP2C9
SCHEMBL2683870 0.90 KMT2A (0.35) KMT2ARORCRENPOLBCYP2C9
SCHEMBL2683813 0.86 KMT2A (0.36) KMT2ARORCRENPOLBCYP2C9
SCHEMBL5281822 0.85 RORC (0.35) KMT2ARORCRENPOLBCYP2C9
SCHEMBL2683892 0.85 RORC (0.35) KMT2ARORCRENPOLBCYP2C9
SCHEMBL2685056 0.84 REN (0.38) KMT2ARORCRENPOLBCYP2C9
SCHEMBL3902743 0.84 PKM (0.37) KMT2ARORCRENPOLBCYP2C9
SCHEMBL2685054 0.84 REN (0.35) KMT2ARORCRENPOLBCYP2C9
SCHEMBL2684035 0.84 REN (0.35) KMT2ARORCRENPOLBCYP2C9

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 KMT2A 3247/4885RORC 4667/4885REN 119/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 KMT2A 3806/4885RORC 4500/4885REN 1/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 KMT2A 3683/4885RORC 4506/4885REN 1/4885

“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.