SCHEMBL11947798

SCHEMBL11947798

CC(C)(C)CN1CCn2cccc2C1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
CACNA2D1 P54289 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KCNQ2 O43526 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23336562 0.81 LMNA (0.36) SLC6A2CACNA2D1ACHELMNAMAPT
SCHEMBL803051 0.75 ACHE (0.35) ACHELMNAMAPTKDM4ENPC1
SCHEMBL11916069 0.72 ACHE (0.37) ACHELMNAMAPTKDM4ENPC1
SCHEMBL18131364 0.70 SCN9A (0.42) SLC6A2CACNA2D1
SCHEMBL15228768 0.68 ACHE (0.37) ACHELMNAMAPTKDM4ENPC1
SCHEMBL18131528 0.68 MAPK1 (0.38) SLC6A2CACNA2D1
SCHEMBL20940198 0.68 ACHE (0.35) SLC6A2CACNA2D1ACHELMNAMAPT
SCHEMBL24026854 0.68 NPC1 (0.41) SLC6A2CACNA2D1ACHELMNAMAPT
SCHEMBL11947835 0.68 ACHE (0.49) ACHENPC1RAB9A
SCHEMBL1938008 0.68 LMNA (0.34) SLC6A2CACNA2D1ACHELMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (3 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN SLC6A2 3182/4885CACNA2D1 3515/4885ACHE 3999/4885
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 SLC6A2 3444/4885CACNA2D1 2232/4885ACHE 2724/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SLC6A2 3182/4885CACNA2D1 3515/4885ACHE 3999/4885

“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.