SCHEMBL1074688

SCHEMBL1074688

CC(C)(C)OC(=O)N(Cc1ccc(Br)c(Br)c1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 1/20 0.41
KDM1A O60341 2/20 0.41
HSD11B1 P28845 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
CETP P11597 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
GPR119 Q8TDV5 2/20 0.36
PTPRC P08575 1/20 0.36
PTPRG P23470 1/20 0.36
GCGR P47871 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.35
REN P00797 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL29925353 0.89 KDM1A (0.43) HDAC8HDAC6HDAC3KDM1AHSD11B1
SCHEMBL24619382 0.89 KDM1A (0.43) HDAC8HDAC6HDAC3KDM1AHSD11B1
SCHEMBL18617665 0.85 HDAC8 (0.46) HDAC8HDAC6HDAC3KDM1AHSD11B1
SCHEMBL13917295 0.84 RIPK1 (0.47) HDAC8HDAC6HDAC3KDM1AHSD11B1
SCHEMBL18617678 0.81 GPR119 (0.47) HDAC8HDAC6HDAC3KDM1AHSD11B1
SCHEMBL23179867 0.80 HSD11B1 (0.45) HDAC8HDAC6HDAC3KDM1AHSD11B1
SCHEMBL1518406 0.80 CETP (0.36) HDAC8HDAC6HDAC3KDM1AHSD11B1
SCHEMBL1069848 0.79 SLC6A2 (0.42) HDAC8HDAC6HDAC3SLC6A2SLC6A4
SCHEMBL24619710 0.79 NR1H4 (0.42) HDAC8HDAC6HDAC3KDM1AHSD11B1
SCHEMBL29924747 0.79 NR1H4 (0.42) HDAC8HDAC6HDAC3KDM1AHSD11B1

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
EP-2274295-B1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2015-08-05 EP disclosed
US-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-06-23 US disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
EP-2274295-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2011-01-19 EP disclosed
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 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 (2 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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 HDAC8 1536/4885HDAC6 1488/4885HDAC3 532/4885
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, AGTR1 HDAC8 1716/4885HDAC6 1578/4885HDAC3 838/4885

“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.