SCHEMBL2154076

SCHEMBL2154076

CC(C)CNc1ncc(-c2ccccc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.46
NPY5R Q15761 3/20 0.46
SCN2A Q99250 2/20 0.46
MASP2 O00187 1/20 0.45
ACP1 P24666 1/20 0.41
KLK1 P06870 1/20 0.41
KLK5 Q9Y337 1/20 0.41
HPGDS O60760 1/20 0.41
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40

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
SCHEMBL2161684 0.85 TRPV1 (0.40) RAB9AMAPT
SCHEMBL2162528 0.85 SCN10A (0.52) PDE10ANPY5RSCN2ARAB9AMAPT
SCHEMBL23585772 0.79 NPY5R (0.47) PDE10ANPY5RSCN2AMASP2KLK1
SCHEMBL2161813 0.79 RIPK1 (0.53) SCN2ARAB9AMAPT
SCHEMBL2153682 0.79 SCN2A (0.55) PDE10ANPY5RSCN2AMASP2HPGDS
SCHEMBL26733433 0.78 PDE10A (0.53) PDE10ANPY5RSCN2AMASP2HPGDS
SCHEMBL2153966 0.77 BCHE (0.49) PDE10ANPY5RSCN2AMASP2ACP1
SCHEMBL7222077 0.75 EGFR (0.52) PDE10ANPY5RSCN2AMASP2
SCHEMBL21376457 0.75 MMP1 (0.43) RAB9AMAPTMMP1MMP3MMP7
SCHEMBL1501814 0.73 PDE10A (0.60) PDE10ANPY5RSCN2AMASP2HPGDS

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
EP-2513064-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS UNIV LEUVEN KATH (BE) 2018-07-04 EP claimed
US-8906915-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-12-09 US claimed
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-01-31 US claimed
EP-2513064-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-10-24 EP claimed
WO-2011080132-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-07-07 WO claimed

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-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS AZI2, NOD1, AADAC PDE10A 1550/4885NPY5R 1660/4885SCN2A 2819/4885

“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.