SCHEMBL3469145

SCHEMBL3469145

COCCCN1CCOc2ccc(COC3CCCNC3)cc21.Cc1ccc(Oc2ccc(C3CCNCC3O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.35
CYP3A4 P08684 3/20 0.32
KCNH2 Q12809 4/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31

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
SCHEMBL3474804 0.92 REN (0.34) REN
SCHEMBL27740232 0.85 REN (0.43) RENKCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL3277339 0.82 REN (0.42) RENCYP3A4
SCHEMBL13161136 0.82 REN (0.42) RENCYP3A4
SCHEMBL3081978 0.81 REN (0.48) REN
SCHEMBL13030781 0.81 REN (0.48) REN
SCHEMBL13030786 0.81 REN (0.52) REN
SCHEMBL3076669 0.81 REN (0.52) REN
SCHEMBL3076004 0.80 REN (0.44) REN
SCHEMBL8284795 0.80 REN (0.44) REN

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-7799779-B2 Substituted piperidines as renin inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
US-20090306064-A1 Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-12-10 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-20090306064-A1 Substituted Piperidines as Renin Inhibitors REN, AGTR1, ACE REN 1/4885CYP3A4 659/4885KCNH2 125/4885

“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.