SCHEMBL1751490

SCHEMBL1751490

COC(=O)C1CN(C(=O)OC(C)(C)C)CCC1c1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.51
TACR1 P25103 1/20 0.44
KCNH2 Q12809 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
REN P00797 4/20 0.43
CYP3A4 P08684 4/20 0.43

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
SCHEMBL1750732 1.00 PDE4B (0.51) PDE4BTACR1KCNH2SLC6A2SLC6A4
SCHEMBL2783354 0.92 REN (0.43) PDE4BTACR1KCNH2RENCYP3A4
SCHEMBL2783355 0.92 REN (0.43) PDE4BTACR1KCNH2RENCYP3A4
SCHEMBL3264631 0.91 KCNH2 (0.47) PDE4BTACR1KCNH2RENCYP3A4
SCHEMBL3264633 0.91 KCNH2 (0.47) PDE4BTACR1KCNH2RENCYP3A4
SCHEMBL556513 0.91 KCNH2 (0.47) PDE4BTACR1KCNH2RENCYP3A4
SCHEMBL1751768 0.89 REN (0.45) PDE4BTACR1SLC6A2SLC6A4SLC6A3
SCHEMBL557592 0.86 PDE4B (0.43) PDE4BKCNH2RENCYP3A4
SCHEMBL556676 0.85 GPR119 (0.41) KCNH2RENCYP3A4
SCHEMBL2880513 0.85 PDE4B (0.55) PDE4BTACR1SLC6A2SLC6A4SLC6A3

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 15 patents. 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-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
EP-2097377-B1 RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2010-07-07 EP disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
EP-2162436-A1 NOVEL CASE OF RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-03-17 EP disclosed
US-20100063091-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2010-03-11 US disclosed
EP-2097377-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-09-09 EP 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 (5 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 PDE4B 310/4885TACR1 133/4885KCNH2 822/4885
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 PDE4B 205/4885TACR1 142/4885KCNH2 1032/4885
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS REN, ACE, AGTR1 PDE4B 710/4885TACR1 126/4885KCNH2 1085/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 PDE4B 116/4885TACR1 53/4885KCNH2 923/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 PDE4B 139/4885TACR1 44/4885KCNH2 476/4885

“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.