SCHEMBL1069848

SCHEMBL1069848

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
SLC6A3 Q01959 3/20 0.42
PTPRC P08575 1/20 0.42
PTPRG P23470 1/20 0.42
HDAC3 O15379 2/20 0.41
KCNH2 Q12809 2/20 0.40
NSD2 O96028 1/20 0.39
AGER Q15109 3/20 0.38
MTNR1A P48039 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
OPRM1 P35372 1/20 0.37
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.37
TACR1 P25103 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL18586056 0.83 MEN1 (0.50) SLC6A2SLC6A4HDAC8HDAC6SLC6A3
SCHEMBL1074688 0.79 HDAC8 (0.41) SLC6A2SLC6A4HDAC8HDAC6SLC6A3
SCHEMBL18586065 0.78 HDAC8 (0.43) SLC6A2SLC6A4HDAC8HDAC6SLC6A3
SCHEMBL3370759 0.78 AGER (0.55) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL1073434 0.75 CYP2D6 (0.37) SLC6A2SLC6A4HDAC8HDAC6SLC6A3
SCHEMBL5913502 0.74 HSD11B1 (0.47) SLC6A2SLC6A4SLC6A3AGERMTNR1A
SCHEMBL736914 0.72 AGER (0.50) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL736913 0.72 AGER (0.50) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL23093614 0.72 SLC6A2 (0.43) SLC6A2SLC6A4HDAC8HDAC6SLC6A3
SCHEMBL5068834 0.72 AGER (0.41) SLC6A2SLC6A4HDAC8HDAC6SLC6A3

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 8 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
EP-2300453-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2011-03-30 EP 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-2009140769-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-26 WO 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 SLC6A2 2227/4885SLC6A4 1884/4885HDAC8 1536/4885
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, AGTR1 SLC6A2 1979/4885SLC6A4 1521/4885HDAC8 1716/4885

“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.