SCHEMBL4689540

SCHEMBL4689540

CC[C@H](C)NC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.52
TRPA1 O75762 1/20 0.50
BCHE P06276 1/20 0.48
SIGMAR1 Q99720 4/20 0.47
ADRB2 P07550 4/20 0.46
F2 P00734 2/20 0.45
SLC6A2 P23975 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
LAP3 P28838 3/20 0.44
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
EPHX1 P07099 1/20 0.43

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
SCHEMBL4693550 1.00 CSNK1E (0.52) CSNK1ETRPA1BCHESIGMAR1ADRB2
SCHEMBL5222215 1.00 CSNK1E (0.52) CSNK1ETRPA1BCHESIGMAR1ADRB2
SCHEMBL5426362 0.93 CSNK1E (0.47) CSNK1ETRPA1BCHESIGMAR1ADRB2
SCHEMBL5431496 0.93 CSNK1E (0.47) CSNK1ETRPA1BCHESIGMAR1ADRB2
SCHEMBL3350954 0.88 CSNK1E (0.49) CSNK1ETRPA1BCHESIGMAR1ADRB2
SCHEMBL3347082 0.88 CSNK1E (0.49) CSNK1ETRPA1BCHESIGMAR1ADRB2
SCHEMBL5218272 0.87 ADRB2 (0.48) CSNK1EBCHESIGMAR1ADRB2F2
SCHEMBL5382881 0.86 CSNK1E (0.53) CSNK1ETRPA1BCHESIGMAR1ADRB2
SCHEMBL4049242 0.85 ALDH1A1 (0.54) CSNK1EBCHESIGMAR1ADRB2SLC6A2
Hydrochloric Acid SCHEMBL5224300 0.84 CSNK1E (0.51) CSNK1ETRPA1BCHESIGMAR1F2

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
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 CSNK1E 580/4885TRPA1 2895/4885BCHE 24/4885

“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.