SCHEMBL12837009

SCHEMBL12837009

COCCCc1cc(CN(C(=O)C2CNCC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 1.00
KCNH2 Q12809 15/20 1.00
CYP3A4 P08684 1/20 0.70

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
SCHEMBL12764046 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL1518134 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL1518138 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL1518143 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL1518178 0.97 REN (0.94) RENKCNH2CYP3A4
SCHEMBL1518182 0.97 REN (0.94) RENKCNH2CYP3A4
SCHEMBL1518174 0.97 REN (0.94) RENKCNH2CYP3A4
SCHEMBL12837203 0.97 REN (0.94) RENKCNH2CYP3A4
SCHEMBL12764082 0.97 REN (0.94) RENKCNH2CYP3A4
SCHEMBL1518087 0.90 REN (1.00) 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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS IDORSIA PHARMACEUTICALS LTD (CH) 2011-03-03 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-20110053940-A1 3,4-SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS REN, ACE, ACE2 REN 1/4885KCNH2 320/4885CYP3A4 99/4885

“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.