SCHEMBL7122837

SCHEMBL7122837

c1coc(-c2ccc3[nH]ccc3c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.51
NPC1 O15118 1/20 0.49
APP P05067 1/20 0.48
NISCH Q9Y2I1 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
BRD4 O60885 1/20 0.46
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 1/20 0.45
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
MAP3K11 Q16584 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL26260185 0.79 LTA4H (0.55) NPC1BRD4CHRNA7CHRNA10CHRNA9
SCHEMBL26260205 0.77 LTA4H (0.49) NPC1BRD4CHRNA7CHRNA10CHRNA9
SCHEMBL30439233 0.74 PSMB8 (0.51) PSMB8NPC1APPNISCHCYP17A1
SCHEMBL5850255 0.74 NPC1 (0.79) PSMB8NPC1NISCHCYP17A1CYP11B1
SCHEMBL9095858 0.73 BRD4 (0.51) PSMB8NPC1APPNISCHCYP17A1
SCHEMBL18828552 0.73 NPC1 (0.59) PSMB8NPC1NISCHCYP17A1CYP11B1
SCHEMBL16005483 0.73 LTA4H (0.57) NPC1NISCHCYP17A1CYP11B1CYP11B2
SCHEMBL722557 0.72 LTA4H (0.64) BRD4CHRNA7CHRNA10CHRNA9LTA4H
SCHEMBL4259674 0.72 APP (0.56) PSMB8NPC1APPNISCHCYP17A1
SCHEMBL16159831 0.72 LTA4H (0.56) NPC1CYP17A1CYP11B1CYP11B2BRD4

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-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed
US-20030232866-A1 2-Substituted 5-oxazolyl indole compounds useful as IMPDH inhibitors and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 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 (2 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-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 PSMB8 4041/4885NPC1 318/4885APP 1772/4885
US-20030232866-A1 2-Substituted 5-oxazolyl indole compounds useful as IMPDH inhibitors and pharmaceutical compositions comprising same IMPDH1, IMPDH2, IMPA1 PSMB8 4243/4885NPC1 635/4885APP 4488/4885

“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.