SCHEMBL14739623

SCHEMBL14739623

FC(F)(F)c1ccn(-c2ccc(-n3cnnc3-c3c(-c4cc(Cl)ccc4Cl)nc4ccccn34)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR1I3 Q14994 7/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
DPP4 P27487 1/20 0.34
NR1I2 O75469 1/20 0.33
MAPK13 O15264 4/20 0.32
MAPK12 P53778 4/20 0.32
MAPK11 Q15759 4/20 0.32
MAPK14 Q16539 4/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32

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
SCHEMBL14739276 0.89 NR1I3 (0.43) NPSR1NR1I3DPP4NR1I2MAPK13
SCHEMBL14740051 0.87 NR1I3 (0.43) NPSR1NR1I3DPP4NR1I2
SCHEMBL14739821 0.85 NR1I3 (0.39) MAPTNPSR1NR1I3DPP4NR1I2
SCHEMBL14739332 0.85 MAPK13 (0.41) NPSR1NR1I3DPP4NR1I2MAPK13
SCHEMBL14740103 0.83 NR1I3 (0.41) NR1I3NPC1RAB9ADPP4NR1I2
SCHEMBL14739599 0.82 NR1I3 (0.41) NPSR1NR1I3DPP4NR1I2
SCHEMBL14739888 0.82 NR1I3 (0.40) MAPTNPSR1NR1I3NPC1RAB9A
SCHEMBL14739390 0.81 NR1I3 (0.45) NR1I3DPP4
SCHEMBL14739626 0.81 NR1I3 (0.41) MAPTNPSR1NR1I3DPP4NR1I2
SCHEMBL14739596 0.81 MAPT (0.39) MAPTNPSR1NR1I3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US claimed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US claimed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 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 (1 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-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR3 MAPT 4300/4885NPSR1 168/4885NR1I3 197/4885

“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.