SCHEMBL4511086

SCHEMBL4511086

COc1cccc(C(N)CCF)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TAAR1 Q96RJ0 3/20 0.49
CASR P41180 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GNRHR P30968 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
SCHEMBL11080613 0.91 TAAR1 (0.51) AOC3L3MBTL1TAAR1CASRALDH1A1
SCHEMBL19791997 0.86 AOC3 (0.50) AOC3L3MBTL1TAAR1CASRALDH1A1
SCHEMBL21507667 0.86 AOC3 (0.50) AOC3L3MBTL1TAAR1CASRALDH1A1
SCHEMBL1473114 0.86 AOC3 (0.53) AOC3L3MBTL1TAAR1CASRALDH1A1
SCHEMBL24527630 0.85 AOC3 (0.53) AOC3L3MBTL1TAAR1CASRMTNR1A
SCHEMBL382558 0.85 AOC3 (0.53) AOC3L3MBTL1TAAR1CASRMTNR1A
SCHEMBL14312520 0.82 AOC3 (0.53) AOC3L3MBTL1TAAR1CASRALDH1A1
SCHEMBL355086 0.82 AOC3 (0.53) AOC3L3MBTL1TAAR1CASRALDH1A1
SCHEMBL17976247 0.82 AOC3 (0.53) AOC3L3MBTL1TAAR1CASRALDH1A1
SCHEMBL21507526 0.82 AOC3 (0.52) AOC3L3MBTL1TAAR1

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-7569337-B2 Labeling brain tissues in vivo or in vitro; 3-Benzothiazol-2-yl-7-[4-(2-fluoro-ethyl)-piperazin-1-yl]-chromen-2-one; diagnosis, monitoring the effectiveness of a therapeutic treatment and detecting histopathological hallmarks of Alzheimer's disease NOVARTIS AG (CH) 2009-08-04 US disclosed
EP-1483262-B1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2007-11-14 EP disclosed
US-20050169837-A1 Coumarines useful as biomarkers NOVARTIS AG (CH) 2005-08-04 US disclosed
EP-1483262-A1 COUMARINES USEFUL AS BIOMARKERS Novartis AG (CH) 2004-12-08 EP disclosed
WO-2003074519-A1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2003-09-12 WO 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-20050169837-A1 Coumarines useful as biomarkers CCNB1, CBR1, CYP1A1 AOC3 1969/4885L3MBTL1 3440/4885TAAR1 1978/4885

“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.