SCHEMBL20049936

SCHEMBL20049936

OC(COc1ccc(C2CCCCC2)cc1)CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 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
SCHEMBL21759173 0.84 POLB (0.76) POLBALDH1A1MAPTGAAMAPK1
SCHEMBL13866493 0.82 POLB (0.81) POLBALDH1A1MAPTGAAMAPK1
SCHEMBL6027881 0.82 POLB (0.81) POLBALDH1A1MAPTGAAMAPK1
SCHEMBL25584154 0.82 POLB (0.44) POLBALDH1A1MAPTGAAMAPK1
SCHEMBL5884965 0.78 POLB (0.71) POLBALDH1A1MAPTGAAMAPK1
SCHEMBL21759059 0.78 POLB (0.67) POLBALDH1A1MAPTGAAMAPK1
SCHEMBL21759172 0.78 POLB (0.71) POLBALDH1A1MAPTGAAMAPK1
SCHEMBL8681927 0.75 MEN1 (0.49) POLBALDH1A1CYP2D6CYP2C19MEN1
SCHEMBL20050081 0.75 ABCB1 (0.67) POLBALDH1A1MAPTGAAMAPK1
SCHEMBL20050150 0.75 POLB (0.62) POLBALDH1A1MAPTGAAMAPK1

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 POLB 3111/4885ALDH1A1 2770/4885MAPT 2764/4885
US-20220153685-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 POLB 3111/4885ALDH1A1 2770/4885MAPT 2764/4885
US-11040935-B2 Small molecule AMPK activators PRKAG1, PRKAG2, PRKAA1 POLB 3111/4885ALDH1A1 2770/4885MAPT 2764/4885
US-20200062693-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 POLB 3111/4885ALDH1A1 2770/4885MAPT 2764/4885

“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.