SCHEMBL534057

SCHEMBL534057

Cn1ccc(C2CCN(C(=O)O)CC2c2ccc(-c3ccccc3CCN)cc2Cl)cc1=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.58
KCNH2 Q12809 12/20 0.58
CYP3A4 P08684 1/20 0.42
ALDH2 P05091 1/20 0.33
CHRM3 P20309 3/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SCD5 Q86SK9 1/20 0.31

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
SCHEMBL535144 0.89 REN (0.74) RENKCNH2CYP3A4ALDH2
SCHEMBL556618 0.86 REN (0.75) RENKCNH2CYP3A4CHRM3
SCHEMBL556870 0.86 REN (0.75) RENKCNH2CYP3A4CHRM3DPP4
SCHEMBL534449 0.85 REN (0.66) RENKCNH2CYP3A4ALDH2CHRM3
SCHEMBL533938 0.83 REN (0.42) RENKCNH2CYP3A4ALDH2CHRM3
SCHEMBL534056 0.80 REN (0.39) RENKCNH2CYP3A4CHRM3DPP4
SCHEMBL557684 0.80 REN (0.61) RENKCNH2CYP3A4CHRM3
SCHEMBL533878 0.80 REN (0.54) RENKCNH2CYP3A4
SCHEMBL533962 0.78 REN (0.40) RENKCNH2DPP4
SCHEMBL535511 0.78 REN (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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 (1 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 1198/4885CYP3A4 766/4885

“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.