SCHEMBL556513

SCHEMBL556513

Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.47
TACR1 P25103 1/20 0.45
REN P00797 15/20 0.43
CYP3A4 P08684 7/20 0.43
PDE4B Q07343 2/20 0.42
GPR119 Q8TDV5 1/20 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
SCHEMBL3264633 1.00 KCNH2 (0.47) KCNH2TACR1RENCYP3A4PDE4B
SCHEMBL3264631 1.00 KCNH2 (0.47) KCNH2TACR1RENCYP3A4PDE4B
SCHEMBL1750732 0.91 PDE4B (0.51) KCNH2TACR1RENCYP3A4PDE4B
SCHEMBL1751490 0.91 PDE4B (0.51) KCNH2TACR1RENCYP3A4PDE4B
SCHEMBL2783355 0.91 REN (0.43) KCNH2TACR1RENCYP3A4PDE4B
SCHEMBL2783354 0.91 REN (0.43) KCNH2TACR1RENCYP3A4PDE4B
SCHEMBL4100936 0.89 KCNH2 (0.47) KCNH2RENCYP3A4
SCHEMBL3050463 0.89 KCNH2 (0.47) KCNH2RENCYP3A4
SCHEMBL4100940 0.89 KCNH2 (0.47) KCNH2RENCYP3A4
SCHEMBL3053444 0.88 REN (0.44) KCNH2TACR1RENPDE4BGPR119

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-8076359-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-12-13 US disclosed
US-8076359-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-12-13 US disclosed
US-8076359-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-12-13 US disclosed
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 US disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
US-20100063091-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-03-11 US disclosed
US-20100063091-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-03-11 US disclosed
US-20100063091-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-03-11 US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
WO-2008141462-A9 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-01-08 WO disclosed
WO-2008141462-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-11-27 WO disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US disclosed
WO-2008058387-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-05-22 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 (6 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-20100063091-A1 RENIN INHIBITORS REN, ACE, AGTR1 KCNH2 822/4885TACR1 133/4885REN 1/4885
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 KCNH2 1032/4885TACR1 142/4885REN 1/4885
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS REN, ACE, AGTR1 KCNH2 1085/4885TACR1 126/4885REN 1/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 KCNH2 923/4885TACR1 53/4885REN 1/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 KCNH2 1198/4885TACR1 205/4885REN 1/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 KCNH2 476/4885TACR1 44/4885REN 1/4885

“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.