SCHEMBL535442

SCHEMBL535442

COCCCc1ccccc1-c1ccc(C2CN(C(=O)O)CCC2c2ccc[n+]([O-])c2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.41
KCNH2 Q12809 6/20 0.41
CYP3A4 P08684 1/20 0.37
F11 P03951 2/20 0.32
KLKB1 P03952 1/20 0.32
LIPE Q05469 1/20 0.32
CHRM3 P20309 1/20 0.31
MLNR O43193 2/20 0.31
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
SPTLC2 O15270 5/20 0.30

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
SCHEMBL535443 1.00 REN (0.41) RENKCNH2CYP3A4F11KLKB1
SCHEMBL534916 0.85 REN (0.54) RENKCNH2CYP3A4
SCHEMBL557170 0.80 REN (0.40) RENKCNH2CYP3A4
SCHEMBL534353 0.78 REN (0.37) RENKCNH2CYP3A4MLNRPTGER1
SCHEMBL556485 0.77 REN (0.38) RENKCNH2CYP3A4CHRM3MLNR
SCHEMBL556668 0.77 LIPE (0.36) RENKCNH2CYP3A4LIPECHRM3
SCHEMBL556455 0.77 KCNH2 (0.40) RENKCNH2CYP3A4CHRM3
SCHEMBL533878 0.75 REN (0.54) RENKCNH2CYP3A4
SCHEMBL534057 0.73 REN (0.58) RENKCNH2CYP3A4CHRM3
SCHEMBL556618 0.73 REN (0.75) RENKCNH2CYP3A4CHRM3

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.