SCHEMBL694511

SCHEMBL694511

COc1ccc(CN(C(=O)C2CNCCC2NC(=O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.58
CYP3A4 P08684 14/20 0.58
KCNH2 Q12809 2/20 0.58

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
SCHEMBL696133 0.94 REN (0.53) RENCYP3A4KCNH2
SCHEMBL2792856 0.91 REN (0.59) RENCYP3A4KCNH2
SCHEMBL2791161 0.91 REN (0.59) RENCYP3A4KCNH2
SCHEMBL696074 0.91 REN (0.63) RENCYP3A4KCNH2
Hydrochloric Acid SCHEMBL695861 0.90 REN (0.58) RENCYP3A4KCNH2
Hydrochloric Acid SCHEMBL696616 0.90 REN (0.58) RENCYP3A4KCNH2
SCHEMBL695813 0.90 REN (0.57) RENCYP3A4KCNH2
Hydrochloric Acid SCHEMBL696345 0.88 REN (0.62) RENCYP3A4KCNH2
SCHEMBL2792552 0.88 REN (0.63) RENCYP3A4KCNH2
SCHEMBL2789976 0.88 REN (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US claimed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 WO claimed
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 REN 1/4885CYP3A4 185/4885KCNH2 2700/4885

“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.