SCHEMBL5434706

SCHEMBL5434706

CCC1(NC(C)C2(NC[C@@H](O)[C@@H](N)Cc3ccccc3)CCCCC2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.39
F2 P00734 2/20 0.35
TRPA1 O75762 1/20 0.34
LAP3 P28838 3/20 0.34
ANPEP P15144 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
REN P00797 2/20 0.32
BCHE P06276 1/20 0.32
SLC6A2 P23975 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32

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
SCHEMBL4693565 0.86 CSNK1E (0.46) CSNK1EF2TRPA1LAP3ANPEP
Hydrochloric Acid SCHEMBL5226024 0.85 CSNK1E (0.45) CSNK1EF2TRPA1LAP3ANPEP
SCHEMBL5224179 0.83 CSNK1E (0.47) CSNK1EF2TRPA1LAP3ANPEP
SCHEMBL5420074 0.81 CSNK1E (0.42) CSNK1EF2TRPA1LAP3ANPEP
SCHEMBL4690000 0.80 CSNK1E (0.49) CSNK1EF2TRPA1LAP3ANPEP
SCHEMBL4688261 0.80 CSNK1E (0.50) CSNK1EF2TRPA1LAP3ANPEP
Hydrochloric Acid SCHEMBL5220295 0.79 CSNK1E (0.43) CSNK1EF2TRPA1LAP3ANPEP
Hydrochloric Acid SCHEMBL5221629 0.79 CSNK1E (0.48) CSNK1EF2TRPA1LAP3ANPEP
Hydrochloric Acid SCHEMBL5219524 0.79 CSNK1E (0.49) CSNK1EF2TRPA1LAP3ANPEP
SCHEMBL5390344 0.78 CSNK1E (0.51) CSNK1EF2TRPA1LAP3ANPEP

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-20070073060-A1 Tricycle indole hydroxyethlamine derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-03-29 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-20070073060-A1 Tricycle indole hydroxyethlamine derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, APP CSNK1E 523/4885F2 4777/4885TRPA1 3263/4885

“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.