SCHEMBL534449

SCHEMBL534449

Cn1ccc(C2CCN(C(=O)O)CC2c2ccc(-c3ccccc3CCNC(=O)OCc3ccccc3)cc2Cl)cc1=O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.66
KCNH2 Q12809 8/20 0.66
CYP3A4 P08684 1/20 0.43
KAT2B Q92831 1/20 0.38
CCR1 P32246 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC7 Q9HCX4 1/20 0.34
GAA P10253 1/20 0.33
ENPP2 Q13822 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH2 P05091 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL556870 0.93 REN (0.75) RENKCNH2CYP3A4CHRM3PTGDR2
SCHEMBL535144 0.89 REN (0.74) RENKCNH2CYP3A4ALDH2PTGDR2
SCHEMBL556618 0.88 REN (0.75) RENKCNH2CYP3A4CHRM3PTGDR2
SCHEMBL534057 0.85 REN (0.58) RENKCNH2CYP3A4CHRM3ALDH2
SCHEMBL534448 0.83 REN (0.48) RENKCNH2CYP3A4KAT2BKEAP1
SCHEMBL535511 0.81 REN (0.66) RENKCNH2CYP3A4PTGDR2
SCHEMBL557684 0.81 REN (0.61) RENKCNH2CYP3A4CHRM3
SCHEMBL556463 0.80 REN (0.58) RENKCNH2CYP3A4MEN1KMT2A
SCHEMBL10202579 0.79 REN (1.00) RENKCNH2CYP3A4
SCHEMBL10202578 0.78 REN (1.00) 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.