SCHEMBL20049943

SCHEMBL20049943

OC(CNCC(c1ccccc1)c1ccccc1)COc1ccc(C2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
LMNA P02545 2/20 0.51
ABCB1 P08183 4/20 0.50
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
CYP2D6 P10635 1/20 0.45
ADRB3 P13945 1/20 0.45
DPP4 P27487 1/20 0.45
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 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
SCHEMBL20049942 0.86 ADRB2 (0.51) MEN1KMT2AOPRM1OPRD1LMNA
SCHEMBL20049939 0.82 MEN1 (0.75) MEN1KMT2AOPRM1OPRD1ABCB1
SCHEMBL20050146 0.80 ABCB1 (0.41) MEN1KMT2AOPRM1OPRD1LMNA
SCHEMBL20049935 0.78 KMT2A (0.67) MEN1KMT2AOPRM1OPRD1ABCB1
SCHEMBL8681927 0.75 MEN1 (0.49) MEN1KMT2ACYP2D6
SCHEMBL7606856 0.74 MEN1 (0.63) MEN1KMT2AOPRM1OPRD1ABCB1
SCHEMBL11606524 0.74 MEN1 (0.71) MEN1KMT2AOPRM1OPRD1LMNA
SCHEMBL20049936 0.74 POLB (0.57) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL24433964 0.73 ADRB2 (0.40) MEN1KMT2AOPRM1OPRD1LMNA
SCHEMBL11563273 0.72 MEN1 (0.68) MEN1KMT2AOPRM1OPRD1ABCB1

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 MEN1 2548/4885KMT2A 780/4885OPRM1 4653/4885
US-20220153685-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 MEN1 2548/4885KMT2A 780/4885OPRM1 4653/4885
US-11040935-B2 Small molecule AMPK activators PRKAG1, PRKAG2, PRKAA1 MEN1 2548/4885KMT2A 780/4885OPRM1 4653/4885
US-20200062693-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 MEN1 2548/4885KMT2A 780/4885OPRM1 4653/4885

“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.