SCHEMBL20050149

SCHEMBL20050149

OC(CN(Cc1ccccc1)Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.59
CYP2D6 P10635 6/20 0.51
CYP1A2 P05177 2/20 0.51
SLC6A2 P23975 10/20 0.48
SLC6A4 P31645 10/20 0.48
SLC6A3 Q01959 10/20 0.48
KCNH2 Q12809 6/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
UGT2B7 P16662 1/20 0.46
CYP3A4 P08684 3/20 0.44
BCHE P06276 1/20 0.44

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
SCHEMBL24433914 0.88 AOC3 (0.48) AOC3CYP2D6CYP1A2SLC6A2SLC6A4
SCHEMBL13024948 0.85 AOC3 (0.49) AOC3CYP2D6CYP1A2SLC6A2SLC6A4
SCHEMBL24433913 0.83 AOC3 (0.43) AOC3CYP2D6CYP1A2SLC6A2SLC6A4
SCHEMBL8080369 0.82 AOC3 (0.57) AOC3CYP2D6CYP1A2SLC6A2SLC6A4
SCHEMBL9367157 0.81 CYP2D6 (0.75) AOC3CYP2D6CYP1A2SLC6A2SLC6A4
SCHEMBL8077477 0.80 CYP1A2 (0.48) AOC3CYP2D6CYP1A2SLC6A2SLC6A4
SCHEMBL28201253 0.80 SLC6A2 (0.57) AOC3CYP2D6CYP1A2SLC6A2SLC6A4
SCHEMBL14864839 0.79 CYP1A2 (0.53) AOC3CYP2D6CYP1A2SLC6A2SLC6A4
SCHEMBL4407771 0.78 AOC3 (0.53) AOC3MEN1TSHRKMT2A
SCHEMBL6819563 0.78 AOC3 (0.53) AOC3MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673853-B2 Small molecule AMPK activators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-06-13 US disclosed
US-11673853-B2 Small molecule AMPK activators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2023-06-13 US disclosed
US-20220153685-A1 SMALL MOLECULE AMPK ACTIVATORS THE UNITED STATES AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS TECHNOLOGY TRANSFER PROGRAM (10P9TT) 2022-05-19 US disclosed
US-11040935-B2 Small molecule AMPK activators University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-06-22 US disclosed
US-20200062693-A1 SMALL MOLECULE AMPK ACTIVATORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-02-27 US disclosed
WO-2018067685-A1 SMALL MOLECULE AMPK ACTIVATORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-04-12 WO 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 (4 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-11673853-B2 Small molecule AMPK activators PRKAG1, PRKAG2, PRKAA1 AOC3 4546/4885CYP2D6 4621/4885CYP1A2 4326/4885
US-20220153685-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 AOC3 4546/4885CYP2D6 4621/4885CYP1A2 4326/4885
US-11040935-B2 Small molecule AMPK activators PRKAG1, PRKAG2, PRKAA1 AOC3 4546/4885CYP2D6 4621/4885CYP1A2 4326/4885
US-20200062693-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 AOC3 4546/4885CYP2D6 4621/4885CYP1A2 4326/4885

“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.