SCHEMBL2759587

SCHEMBL2759587

CCc1ccc(-c2cnc(OC)nc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.52
QPCTL Q9NXS2 1/20 0.52
CRHR1 P34998 1/20 0.45
P2RX3 P56373 1/20 0.43
HSD11B1 P28845 1/20 0.42
PPARD Q03181 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ATM Q13315 1/20 0.41
FAAH O00519 1/20 0.38
CES1 P23141 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 2/20 0.37
METAP2 P50579 2/20 0.37
GABRG2 P18507 1/20 0.36

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
SCHEMBL14466720 0.88 QPCT (0.50) QPCTQPCTLCRHR1P2RX3HSD11B1
SCHEMBL16104488 0.82 QPCT (0.56) QPCTQPCTLCRHR1P2RX3HSD11B1
SCHEMBL19413896 0.81 QPCT (0.47) QPCTQPCTLCRHR1P2RX3HSD11B1
SCHEMBL4743846 0.81 HSD11B1 (0.57) QPCTQPCTLHSD11B1NPSR1ATM
SCHEMBL3767625 0.80 QPCT (0.54) QPCTQPCTLCRHR1HSD11B1PPARD
SCHEMBL1639532 0.78 QPCT (0.50) QPCTQPCTLCRHR1P2RX3HSD11B1
SCHEMBL21180008 0.78 QPCT (0.52) QPCTQPCTLCRHR1P2RX3HSD11B1
SCHEMBL1622162 0.78 QPCT (0.52) QPCTQPCTLCRHR1P2RX3HSD11B1
SCHEMBL2034545 0.78 QPCT (0.51) QPCTQPCTLCRHR1P2RX3HSD11B1
SCHEMBL16675754 0.77 QPCT (0.51) QPCTQPCTLP2RX3PPARDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2019-07-23 US disclosed
US-8791104-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-07-29 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
US-8088759-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-03 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US 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 (3 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-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 QPCT 2948/4885QPCTL 4552/4885CRHR1 584/4885
US-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GIPR, GPR88, GPR119 QPCT 1055/4885QPCTL 1514/4885CRHR1 132/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 QPCT 2948/4885QPCTL 4552/4885CRHR1 584/4885

“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.