SCHEMBL555715

SCHEMBL555715

CC(C)(C)C1[C@H](c2cc(-c3c(Cl)cccc3Cl)on2)[C@@](O)(c2ccc(F)c(F)c2)CCN1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.55
KCNH2 Q12809 14/20 0.55
CYP3A4 P08684 9/20 0.55
NR1H4 Q96RI1 1/20 0.33
CNR2 P34972 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
SCN9A Q15858 1/20 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
SCHEMBL556590 1.00 REN (0.55) RENKCNH2CYP3A4NR1H4CNR2
SCHEMBL556526 0.87 REN (0.44) RENKCNH2CYP3A4CNR2KMT2A
SCHEMBL557037 0.83 REN (0.56) RENKCNH2CYP3A4NR1H4
SCHEMBL556342 0.83 REN (0.40) RENKCNH2CYP3A4NR1H4CNR2
SCHEMBL555764 0.82 REN (0.42) RENKCNH2CYP3A4
SCHEMBL555743 0.79 REN (0.57) RENKCNH2CYP3A4NR1H4
SCHEMBL555816 0.78 REN (0.56) RENKCNH2CYP3A4NR1H4
SCHEMBL557211 0.76 REN (0.46) RENKCNH2CYP3A4NR1H4
SCHEMBL555714 0.76 REN (0.60) RENKCNH2CYP3A4
SCHEMBL556589 0.76 REN (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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 (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.