SCHEMBL4511091

SCHEMBL4511091

COc1cccc(CNCCF)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.71
BCHE P06276 3/20 0.59
SCN8A Q9UQD0 1/20 0.59
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 1/20 0.56
HEXA P06865 1/20 0.55
HEXB P07686 1/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HDAC1 Q13547 1/20 0.52

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
SCHEMBL4916089 0.90 CHRM2 (0.81) CHRM2BCHESCN8AKMT2AMEN1
SCHEMBL5038344 0.88 CHRM2 (0.84) CHRM2BCHESCN8AKMT2AMEN1
SCHEMBL4916807 0.88 CHRM2 (0.84) CHRM2BCHESCN8AKMT2AMEN1
SCHEMBL4917384 0.88 CHRM2 (0.84) CHRM2BCHESCN8AKMT2AMEN1
SCHEMBL4584077 0.87 CHRM2 (0.77) CHRM2BCHESCN8AKMT2AMEN1
SCHEMBL1134127 0.86 CHRM2 (0.74) CHRM2BCHESCN8AKMT2AMEN1
SCHEMBL10384415 0.85 CHRM2 (0.73) CHRM2BCHESCN8AKMT2AMEN1
Hydrochloric Acid SCHEMBL6122475 0.84 CHRM2 (0.72) CHRM2BCHESCN8AKMT2AMEN1
SCHEMBL4913847 0.84 CHRM2 (0.77) CHRM2BCHESCN8AKMT2AMEN1
SCHEMBL4915334 0.84 CHRM2 (0.77) CHRM2BCHESCN8AKMT2AMEN1

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 CHRM2 609/4885BCHE 733/4885SCN8A 4388/4885

“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.