SCHEMBL23711779

SCHEMBL23711779

NCCCOc1cccc2c(C3CC3)nn(-c3ccccc3)c12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.45
KHK P50053 3/20 0.43
BTK Q06187 5/20 0.37
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HRH1 P35367 1/20 0.34
HTR6 P50406 1/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR4 P31391 1/20 0.34
DRD4 P21917 1/20 0.34
SLC2A1 P11166 1/20 0.34
SLC2A3 P11169 1/20 0.34

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
SCHEMBL31279350 1.00 HTR1B (0.45) HTR1BKHKBTKDRD3HRH3
SCHEMBL23711786 0.85 HTR1B (0.48) HTR1BKHKDRD3HRH3HRH1
SCHEMBL23711793 0.84 HTR1B (0.47) HTR1BKHKDRD4
SCHEMBL23711727 0.83 KHK (0.41) KHKBTKDRD3HRH3
SCHEMBL31280114 0.83 KHK (0.41) KHKBTKDRD3HRH3
SCHEMBL31279581 0.79 GABRG2 (0.45) KHK
SCHEMBL31279229 0.79 KHK (0.43) KHKBTK
SCHEMBL23711721 0.79 GABRG2 (0.45) KHK
SCHEMBL23711748 0.79 KHK (0.43) KHKBTK
SCHEMBL23711753 0.78 KHK (0.70) KHKBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210275494-A1 METHODS FOR FRUCTOKINASE MEDIATION OF ALCOHOL CRAVING AND ALCOHOL INDUCED LIVER DISEASE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-09-09 US disclosed
US-20210275494-A1 METHODS FOR FRUCTOKINASE MEDIATION OF ALCOHOL CRAVING AND ALCOHOL INDUCED LIVER DISEASE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-09-09 US disclosed
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-08-10 US disclosed
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-08-10 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 (2 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-20210275494-A1 METHODS FOR FRUCTOKINASE MEDIATION OF ALCOHOL CRAVING AND ALCOHOL INDUCED LIVER DISEASE KHK, GCK, FN3K HTR1B 2359/4885KHK 1/4885BTK 1509/4885
US-11083720-B2 Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases KHK, GCK, HK1 HTR1B 1557/4885KHK 1/4885BTK 2795/4885

“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.