SCHEMBL1229339

SCHEMBL1229339

COCCc1ccc(Cl)c(CN(C(=O)C2CN(C(=O)OC(C)(C)C)CCC2=O)C2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.46
KCNH2 Q12809 5/20 0.46
CYP3A4 P08684 4/20 0.42

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
SCHEMBL3108333 0.96 REN (0.48) RENKCNH2CYP3A4
SCHEMBL1071703 0.89 REN (0.48) RENKCNH2CYP3A4
SCHEMBL3103641 0.87 REN (0.41) RENKCNH2
SCHEMBL13538347 0.85 REN (0.46) RENKCNH2CYP3A4
SCHEMBL3417760 0.85 REN (0.51) RENKCNH2CYP3A4
SCHEMBL3096976 0.84 REN (0.45) RENKCNH2CYP3A4
SCHEMBL3111265 0.81 REN (0.52) RENKCNH2CYP3A4
SCHEMBL1518472 0.79 REN (0.53) RENKCNH2CYP3A4
SCHEMBL1518474 0.79 REN (0.53) RENKCNH2CYP3A4
SCHEMBL1518471 0.79 REN (0.53) RENKCNH2CYP3A4

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 11 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-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
US-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 US disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 WO disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
US-20100249163-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-09-30 US disclosed
WO-2009070869-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed
US-20090062342-A1 AMINES ACTELION PHARMACEUTICALS LTD. (CH) 2009-03-05 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 (4 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 REN 1/4885KCNH2 320/4885CYP3A4 99/4885
US-20100249163-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 1176/4885CYP3A4 1183/4885
US-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 35/4885CYP3A4 908/4885
US-20090062342-A1 AMINES REN, ACE, MAOA REN 1/4885KCNH2 656/4885CYP3A4 331/4885

“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.