SCHEMBL2684087

SCHEMBL2684087

COC(=O)c1ccc([C@@H]2[C@@H](CO)CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
USP5 P45974 1/20 0.42
LMNA P02545 2/20 0.41
FBP1 P09467 1/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL5249814 0.89 RAB9A (0.45) TSHRKMT2AUSP5LMNAMEN1
SCHEMBL2682798 0.85 TSHR (0.42) TSHRALDH1A1KMT2ALMNA
SCHEMBL3911172 0.85 TSHR (0.42) TSHRALDH1A1KMT2ALMNA
SCHEMBL2684907 0.84 GLA (0.40) GLATSHRMAPK1ALDH1A1KMT2A
SCHEMBL2682454 0.83 GLA (0.41) GLATSHRMAPK1ALDH1A1KMT2A
SCHEMBL5399837 0.83 GLA (0.41) GLATSHRMAPK1ALDH1A1KMT2A
SCHEMBL5382859 0.80 DRD2 (0.39) TSHRALDH1A1KMT2ALMNA
SCHEMBL2683351 0.80 DRD2 (0.39) TSHRALDH1A1KMT2ALMNA
SCHEMBL2683681 0.80 GLA (0.43) GLATSHRMAPK1ALDH1A1KMT2A
SCHEMBL3910570 0.78 PAX8 (0.41) TSHRMAPK1KMT2ALMNAMEN1

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 GLA 333/4885TSHR 4539/4885MAPK1 2651/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 GLA 2105/4885TSHR 1153/4885MAPK1 1966/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 GLA 2086/4885TSHR 1092/4885MAPK1 1839/4885

“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.