SCHEMBL5459846

SCHEMBL5459846

CN(C)c1nc(N[C@@H]2CCC[C@@H](N)C2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.52
ADRA2A P08913 17/20 0.52
NPY5R Q15761 4/20 0.49
HTR1A P08908 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
CDC7 O00311 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL5528796 0.93 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5528801 0.93 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL3939325 0.85 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL3939323 0.85 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5463167 0.85 PTPN11 (0.49) NPY5RCDC7DAPK3JAK2ROCK2
SCHEMBL5463157 0.85 PTPN11 (0.49) NPY5RCDC7DAPK3JAK2ROCK2
SCHEMBL5463162 0.85 PTPN11 (0.49) NPY5RCDC7DAPK3JAK2ROCK2
SCHEMBL4030769 0.85 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
Hydrochloric Acid SCHEMBL3943726 0.84 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL30454842 0.83 MCHR1 (0.67) MCHR1ADRA2ANPY5RHTR1AADRA1A

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-20070185119-A1 Therapeutic agents II ASTRAZENECA AB (SE) 2007-08-09 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-20070185119-A1 Therapeutic agents II HTT, ACHE, GPR119 MCHR1 968/4885ADRA2A 702/4885NPY5R 2575/4885

“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.