SCHEMBL663586

SCHEMBL663586

CC(C)(C)OC(=O)N(Cc1cc(Br)ccc1Cl)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.43
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TACR1 P25103 2/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
HSD11B1 P28845 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL662637 0.87 REN (0.47) RENLMNANPSR1SLC6A4SLC6A2
SCHEMBL4526670 0.85 REN (0.43) RENTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL1752126 0.84 REN (0.43) RENTACR1CYP3A4HSD11B1
SCHEMBL1752078 0.83 REN (0.42) RENTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL1750635 0.82 PTGDR2 (0.45) RENSLC6A4SLC6A2SLC6A3MEN1
SCHEMBL1751809 0.82 REN (0.45) RENTACR1CYP3A4
SCHEMBL1750822 0.82 REN (0.41) RENTACR1SLC6A4SLC6A2SLC6A3
SCHEMBL1751224 0.81 REN (0.45) RENCYP3A4
SCHEMBL4525031 0.81 ALDH1A1 (0.46) RENLMNANPSR1MEN1KMT2A
SCHEMBL1751560 0.81 REN (0.40) RENCYP3A4HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 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 (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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885LMNA 1559/4885NPSR1 1723/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885LMNA 1498/4885NPSR1 168/4885

“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.