SCHEMBL1752399

SCHEMBL1752399

CC(C)(C)OC(=O)N(Cc1ccc(Cl)c(CO[Si](C)(C)C(C)(C)C)c1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.38
HTR2A P28223 7/20 0.37
NR1H4 Q96RI1 1/20 0.36
HSD11B1 P28845 1/20 0.35
GCGR P47871 1/20 0.35
CYP3A4 P08684 1/20 0.34
KDM1A O60341 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KCNH2 Q12809 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
SCHEMBL1750783 0.90 REN (0.35) RENCYP3A4KCNH2
SCHEMBL3095965 0.84 LPAR1 (0.34)
SCHEMBL3075616 0.84 HTR2C (0.39) HTR2A
SCHEMBL1751560 0.84 REN (0.40) RENHTR2ANR1H4HSD11B1GCGR
SCHEMBL3079714 0.82 HDAC3 (0.38) CYP3A4
SCHEMBL1752126 0.81 REN (0.43) RENHTR2AHSD11B1CYP3A4KCNH2
SCHEMBL1751218 0.80 SSTR4 (0.35)
SCHEMBL1751081 0.80 REN (0.42) RENHTR2ANR1H4HSD11B1GCGR
SCHEMBL1750843 0.79 LPAR1 (0.35)
SCHEMBL1751809 0.79 REN (0.45) RENCYP3A4KCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 US disclosed
EP-1981847-A1 SECONDARY AMINES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 US disclosed
WO-2007088514-A1 SECONDARY AMINES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-09 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 (3 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-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 REN 1/4885HTR2A 2555/4885NR1H4 1272/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 REN 1/4885HTR2A 1616/4885NR1H4 1151/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885HTR2A 860/4885NR1H4 127/4885

“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.