SCHEMBL20049942

SCHEMBL20049942

OC(CNC(c1ccccc1)c1ccccc1)COc1ccc(C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP2D6 P10635 1/20 0.51
ADRB3 P13945 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 1/20 0.51
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 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
SCHEMBL20049943 0.86 MEN1 (0.56) ADRB2ADRB1CYP2D6ADRB3KMT2A
SCHEMBL20049938 0.82 CYP2D6 (0.69) ADRB2ADRB1CYP2D6ADRB3KMT2A
SCHEMBL20049934 0.78 KMT2A (0.56) ADRB2ADRB1CYP2D6ADRB3KMT2A
SCHEMBL24433964 0.77 ADRB2 (0.40) ADRB2ADRB1CYP2D6ADRB3KMT2A
SCHEMBL8681927 0.75 MEN1 (0.49) CYP2D6KMT2AMEN1
SCHEMBL9006023 0.75 KMT2A (0.70) ADRB2ADRB1CYP2D6ADRB3KMT2A
SCHEMBL9006022 0.75 KMT2A (0.70) ADRB2ADRB1CYP2D6ADRB3KMT2A
SCHEMBL20049936 0.74 POLB (0.57) CYP2D6KMT2AMEN1LMNAMAPT
SCHEMBL20050146 0.74 ABCB1 (0.41) ADRB2ADRB1CYP2D6ADRB3KMT2A
SCHEMBL11592418 0.73 KMT2A (0.53) ADRB2ADRB1CYP2D6ADRB3KMT2A

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 ADRB2 3650/4885ADRB1 2843/4885CYP2D6 4621/4885
US-20220153685-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 ADRB2 3650/4885ADRB1 2843/4885CYP2D6 4621/4885
US-11040935-B2 Small molecule AMPK activators PRKAG1, PRKAG2, PRKAA1 ADRB2 3650/4885ADRB1 2843/4885CYP2D6 4621/4885
US-20200062693-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 ADRB2 3650/4885ADRB1 2843/4885CYP2D6 4621/4885

“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.