SCHEMBL16146366

SCHEMBL16146366

CC(=O)Nc1nc(C2CCCCC2)nc2[nH]cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CHRM3 P20309 4/20 0.34
▸ PDE4A P27815 4/20 0.34
▸ PDE4B Q07343 4/20 0.34
▸ PDE4C Q08493 4/20 0.34
▸ PDE4D Q08499 4/20 0.34
▸ HTR1F P30939 4/20 0.34
▸ HTR1A P08908 3/20 0.34
▸ HTR1D P28221 3/20 0.34
▸ HTR1B P28222 2/20 0.34
▸ GLS O94925 1/20 0.33
▸ GDA Q9Y2T3 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32

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
SCHEMBL16146367 0.81 GDA (0.46) GDACDK2ADORA3
SCHEMBL16146600 0.76 TSHR (0.46) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL16146526 0.75 ADORA3 (0.43) GDAADORA3
SCHEMBL9021288 0.75 CYP1A2 (0.40) CYP2C9HTR1FHTR1AHTR1DHTR1B
SCHEMBL16146678 0.75 GDA (0.39) GDAADORA3
SCHEMBL16146754 0.75 GDA (0.39) GDAADORA3ABL1
SCHEMBL16145714 0.74 GDA (0.38) GDAADORA3
SCHEMBL16146723 0.74 GDA (0.38) GDAADORA3
SCHEMBL14196063 0.74 XDH (0.40) GDA
SCHEMBL16146641 0.74 GDA (0.38) GDA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 — — US claimed
US-9938279-B2 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2018-04-10 — — US disclosed
US-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) ENERGENESIS BIOMEDICAL CO., LTD (TW) 2014-10-09 — — 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-20140303112-A1 Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) PRKAG2, PRKAB2, PRKAG1 CYP2D6 4390/4885CYP2C9 4597/4885CHRM3 1371/4885

“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.

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