SCHEMBL696532

SCHEMBL696532

COCCCOc1cccc(CN(C(=O)C2CNCCC2NC(=O)c2ccc(OCCOc3c(Cl)cccc3Cl)cc2)C2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.56
KCNH2 Q12809 16/20 0.56
CYP3A4 P08684 10/20 0.56

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 0.89 REN (0.53) RENKCNH2CYP3A4
SCHEMBL696533 0.89 REN (0.58) RENKCNH2CYP3A4
SCHEMBL694310 0.88 REN (0.51) RENKCNH2CYP3A4
Hydrochloric Acid SCHEMBL9952555 0.88 REN (0.59) RENKCNH2CYP3A4
SCHEMBL9951986 0.87 REN (0.55) RENKCNH2CYP3A4
SCHEMBL694126 0.85 REN (0.57) RENKCNH2CYP3A4
SCHEMBL694497 0.85 REN (0.56) RENCYP3A4
SCHEMBL696074 0.84 REN (0.63) RENKCNH2CYP3A4
SCHEMBL695813 0.84 REN (0.57) RENKCNH2CYP3A4
SCHEMBL2792856 0.83 REN (0.59) 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 6 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
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP 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 1/4885KCNH2 2700/4885CYP3A4 185/4885

“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.