SCHEMBL12837408

SCHEMBL12837408

CCOC(=O)[C@@H]1CNCC[C@@H]1c1ccnc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
REN P00797 5/20 0.38
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CCNT1 O60563 1/20 0.35

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
SCHEMBL17485192 0.83 MAPT (0.60) MAPTPKMPDE4APDE4BPDE4C
SCHEMBL17474501 0.82 PDE4B (0.60) MAPTPKMPDE4APDE4BPDE4C
SCHEMBL17485234 0.82 PDE4B (0.60) MAPTPKMPDE4APDE4BPDE4C
SCHEMBL17485277 0.81 MAPT (0.61) MAPTPKMPDE4APDE4BPDE4C
SCHEMBL11081986 0.81 MAPT (0.58) MAPTPKMPDE4APDE4BPDE4C
SCHEMBL17486619 0.81 MAPT (0.58) MAPTPKMPDE4APDE4BPDE4C
SCHEMBL17485182 0.81 MAPT (0.58) MAPTPKMPDE4APDE4BPDE4C
SCHEMBL17485268 0.81 MAPT (0.63) MAPTPKMRENKCNH2CYP3A4
SCHEMBL17486605 0.81 MAPT (0.63) MAPTPKMRENKCNH2CYP3A4
SCHEMBL17486620 0.80 MAPT (0.59) MAPTPKMRENKCNH2CYP3A4

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-8889714-B2 3,4-substituted piperidine derivatives as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
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 MAPT 4287/4885PKM 940/4885PDE4A 140/4885

“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.