SCHEMBL1081990

SCHEMBL1081990

CC(C)(C)OC(=O)N(Cc1cc(CCO)cc(F)c1F)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.38
CETP P11597 1/20 0.36
RIPK1 Q13546 3/20 0.35
NR1H4 Q96RI1 1/20 0.35
KDM1A O60341 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HSD11B1 P28845 1/20 0.34
OPRM1 P35372 1/20 0.33
SSTR4 P31391 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
SCHEMBL1518498 0.82 REN (0.43) HTR2ANR1H4HSD11B1
SCHEMBL661553 0.82 REN (0.38) HTR2ANR1H4KDM1AHDAC8HDAC6
SCHEMBL1751809 0.81 REN (0.45)
SCHEMBL1074676 0.77 REN (0.38) NR1H4KDM1AHDAC8HDAC6HSD11B1
SCHEMBL1072457 0.75 REN (0.45) HTR2A
SCHEMBL24619322 0.74 HTR2A (0.43) HTR2ACETPKDM1AHDAC8HDAC6
SCHEMBL29924845 0.74 HTR2A (0.43) HTR2ACETPKDM1AHDAC8HDAC6
SCHEMBL24619325 0.74 HTR2A (0.42) HTR2ANR1H4HSD11B1
SCHEMBL24619382 0.74 KDM1A (0.43) HTR2ACETPNR1H4KDM1AHDAC8
SCHEMBL24619710 0.74 NR1H4 (0.42) HTR2ACETPNR1H4KDM1AHDAC8

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 HTR2A 3038/4885CETP 2525/4885RIPK1 3179/4885
US-20110152316-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, AGTR1 HTR2A 2716/4885CETP 3032/4885RIPK1 2703/4885

“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.