SCHEMBL12837010

SCHEMBL12837010

CCn1ccc([C@H]2CCNCC2C(=O)N(Cc2cc(CCCOC)cc(OCCOC)c2)C2CC2)cc1=O

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 0.74
CYP3A4 P08684 4/20 0.65

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
SCHEMBL12764041 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL1518503 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL1518506 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL1518507 1.00 REN (1.00) RENKCNH2CYP3A4
SCHEMBL12837411 0.91 REN (1.00) RENKCNH2CYP3A4
SCHEMBL1518595 0.91 REN (1.00) RENKCNH2CYP3A4
SCHEMBL12764040 0.91 REN (1.00) RENKCNH2CYP3A4
SCHEMBL1518599 0.91 REN (1.00) RENKCNH2CYP3A4
SCHEMBL1518596 0.91 REN (1.00) RENKCNH2CYP3A4
SCHEMBL12764367 0.90 REN (0.82) 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 2 patents. 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
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 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-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.