SCHEMBL5884965

SCHEMBL5884965

COc1ccc(OCC(O)CN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.71
ALDH1A1 P00352 3/20 0.65
TSHR P16473 2/20 0.65
NPC1 O15118 1/20 0.64
MAPT P10636 2/20 0.63
MAPK1 P28482 2/20 0.63
GAA P10253 1/20 0.63
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ABCB1 P08183 2/20 0.50
DRD4 P21917 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
CASR P41180 1/20 0.50

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 0.93 POLB (0.76) POLBALDH1A1TSHRNPC1MAPT
SCHEMBL6027881 0.90 POLB (0.81) POLBALDH1A1TSHRNPC1MAPT
SCHEMBL13866493 0.90 POLB (0.81) POLBALDH1A1TSHRNPC1MAPT
SCHEMBL21759172 0.89 POLB (0.71) POLBALDH1A1TSHRNPC1MAPT
SCHEMBL6321886 0.87 ALDH1A1 (0.63) POLBALDH1A1TSHRNPC1MAPT
SCHEMBL21759059 0.86 POLB (0.67) POLBALDH1A1TSHRNPC1MAPT
SCHEMBL12122811 0.85 POLB (0.63) POLBALDH1A1TSHRNPC1MAPT
Hydrochloric Acid SCHEMBL6320402 0.84 ALDH1A1 (0.62) POLBALDH1A1TSHRNPC1MAPT
SCHEMBL20050081 0.82 ABCB1 (0.67) POLBALDH1A1TSHRMAPTMAPK1
SCHEMBL20050150 0.82 POLB (0.62) POLBALDH1A1TSHRNPC1MAPT

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 15 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
US-7030110-B2 Cyclic oxyguanidine pyrazinones as protease inhibitors ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
US-20060058291-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-03-16 US disclosed
EP-1303510-A2 CYCLIC OXYGUANIDINE PYRAZINONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-23 EP disclosed
US-20030073702-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6476016-B2 INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020052357-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-05-02 US disclosed
EP-1189901-A1 OXAZAHETEROCYCLES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-03-27 EP disclosed
WO-2002006248-A2 CYCLIC OXYGUANIDINE PYRAZINONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-01-24 WO disclosed
US-6326492-B1 ANTICOAGULANT 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-12-04 US disclosed
WO-2000073302-A1 OXAZAHETEROCYCLES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-12-07 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 (7 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 2770/4885TSHR 3173/4885
US-20020052357-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI POLB 2146/4885ALDH1A1 2762/4885TSHR 1195/4885
US-20220153685-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 POLB 3111/4885ALDH1A1 2770/4885TSHR 3173/4885
US-11040935-B2 Small molecule AMPK activators PRKAG1, PRKAG2, PRKAA1 POLB 3111/4885ALDH1A1 2770/4885TSHR 3173/4885
US-20200062693-A1 SMALL MOLECULE AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAA1 POLB 3111/4885ALDH1A1 2770/4885TSHR 3173/4885
US-20030073702-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI POLB 2146/4885ALDH1A1 2762/4885TSHR 1195/4885
US-20060058291-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, TFPI, F12 POLB 2062/4885ALDH1A1 3782/4885TSHR 654/4885

“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.