SCHEMBL30896233

SCHEMBL30896233

CC1CCCC(Nc2nc(NC3CCCCC3)c3ccccc3n2)C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.64
GBA1 P04062 2/20 0.60
PDE5A O76074 2/20 0.56
ACP1 P24666 2/20 0.56
OGG1 O15527 1/20 0.56
MERTK Q12866 6/20 0.56
WHR1 P49842 1/20 0.56
TLR7 Q9NYK1 2/20 0.54
MEN1 O00255 1/20 0.52
HSP90AA1 P07900 1/20 0.52
KMT2A Q03164 1/20 0.52
APP P05067 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CCR4 P51679 1/20 0.50

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
SCHEMBL24649772 1.00 NPY5R (0.64) NPY5RGBA1PDE5AACP1OGG1
SCHEMBL24649614 0.88 NPY5R (0.79) NPY5RGBA1PDE5AACP1OGG1
SCHEMBL27223936 0.81 CAMK2D (0.67) NPY5RGBA1PDE5AMERTK
SCHEMBL16280668 0.80 NPY5R (0.62) NPY5RGBA1PDE5AACP1OGG1
SCHEMBL19288722 0.79 GBA1 (0.46) NPY5RGBA1PDE5AACP1OGG1
SCHEMBL8899277 0.78 NPY5R (1.00) NPY5RPDE5AACP1OGG1MERTK
SCHEMBL27224044 0.78 MERTK (0.81) NPY5RGBA1PDE5AACP1OGG1
Hydrochloric Acid SCHEMBL8890554 0.77 NPY5R (0.97) NPY5RPDE5AACP1OGG1MERTK
SCHEMBL24649760 0.76 ACP1 (0.68) NPY5RGBA1PDE5AACP1OGG1
SCHEMBL18353883 0.75 GBA1 (1.00) GBA1

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-20240166626-A1 Compounds and Methods for Preventing, Treating, or Ameliorating Airway Disease UNIV JEFFERSON (US) 2024-05-23 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-20240166626-A1 Compounds and Methods for Preventing, Treating, or Ameliorating Airway Disease ADRB2, ADRB1, ADRB3 NPY5R 2011/4885GBA1 3401/4885PDE5A 285/4885

“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.