SCHEMBL555942

SCHEMBL555942

O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1onc(-c2cccc(Cl)c2Cl)c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 1.00
CYP3A4 P08684 15/20 1.00
KCNH2 Q12809 19/20 0.87

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
SCHEMBL557187 0.93 REN (1.00) RENCYP3A4KCNH2
SCHEMBL556908 0.90 REN (1.00) RENCYP3A4KCNH2
SCHEMBL10202605 0.90 REN (0.81) RENCYP3A4KCNH2
SCHEMBL555629 0.86 REN (1.00) RENCYP3A4KCNH2
SCHEMBL557568 0.86 REN (1.00) RENCYP3A4KCNH2
SCHEMBL7870348 0.82 REN (0.70) RENCYP3A4KCNH2
SCHEMBL556389 0.81 REN (0.80) RENCYP3A4KCNH2
SCHEMBL556450 0.79 REN (0.83) RENCYP3A4KCNH2
SCHEMBL556198 0.78 REN (1.00) RENCYP3A4KCNH2
SCHEMBL555742 0.77 REN (0.62) RENCYP3A4KCNH2

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
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
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 1/4885CYP3A4 766/4885KCNH2 1198/4885

“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.