SCHEMBL14021982

SCHEMBL14021982

COc1ncc(CCC(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.44
DYRK1A Q13627 1/20 0.36
PDE10A Q9Y233 1/20 0.35
TLR7 Q9NYK1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ERN1 O75460 1/20 0.32
POLB P06746 1/20 0.31
IDO1 P14902 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
PDE4D Q08499 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
SCHEMBL14288617 0.79 SLC6A3 (0.44) SLC6A3DYRK1APDE10AMEN1KMT2A
SCHEMBL5871494 0.78 SLC6A3 (0.43) SLC6A3DYRK1APDE10AMEN1KMT2A
SCHEMBL16805455 0.76 TLR7 (0.35) TLR7NOS3NOS1NOS2
SCHEMBL14021912 0.76 LMNA (0.44) SLC6A3TLR7MEN1KMT2APOLB
SCHEMBL14021915 0.76 MAPT (0.42) SLC6A3PDE10ATLR7MEN1KMT2A
SCHEMBL11971227 0.75
SCHEMBL23146169 0.73
SCHEMBL3123322 0.73
SCHEMBL7993719 0.73
SCHEMBL27935793 0.73 SLC6A3 (0.45) SLC6A3DYRK1APDE10AMEN1KMT2A

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-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 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 (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-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C SLC6A3 1870/4885DYRK1A 3924/4885PDE10A 859/4885

“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.