SCHEMBL534916

SCHEMBL534916

COCCCc1ccccc1-c1ccc(C2CN(C(=O)O)CCC2c2cccnc2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.54
KCNH2 Q12809 6/20 0.54
CYP3A4 P08684 1/20 0.38
SPR P35270 1/20 0.36
FAAH O00519 1/20 0.35
KDM6B O15054 4/20 0.34
KDM4C Q9H3R0 4/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MCL1 Q07820 1/20 0.34
TBXAS1 P24557 1/20 0.33
PTGIS Q16647 1/20 0.33
APLNR P35414 1/20 0.33
GPR39 O43194 2/20 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
SCHEMBL535443 0.85 REN (0.41) RENKCNH2CYP3A4
SCHEMBL535442 0.85 REN (0.41) RENKCNH2CYP3A4
SCHEMBL557170 0.85 REN (0.40) RENKCNH2CYP3A4FAAH
SCHEMBL556455 0.85 KCNH2 (0.40) RENKCNH2CYP3A4FAAHKDM6B
SCHEMBL556485 0.83 REN (0.38) RENKCNH2CYP3A4FAAHCD274
SCHEMBL535102 0.82 REN (0.36) RENKCNH2CYP3A4SPRKDM4C
SCHEMBL556315 0.82 REN (0.40) RENKCNH2CYP3A4FAAHMCL1
SCHEMBL557570 0.82 REN (0.43) RENKCNH2APLNR
SCHEMBL7869553 0.81 REN (0.71) RENKCNH2CYP3A4
SCHEMBL534353 0.81 REN (0.37) 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.