SCHEMBL2591241

SCHEMBL2591241

CC(C)(C)OC(=O)N1CCC(Oc2nc3ccc(Br)cc3s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.53
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
GPR119 Q8TDV5 8/20 0.47
CHEK2 O96017 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
USP30 Q70CQ3 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PIK3CA P42336 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
SCHEMBL2589683 0.85 ACACB (0.55) ACACBNPC1RAB9A
SCHEMBL29716410 0.85 GPR119 (0.49) GPR119CHEK2
SCHEMBL29210751 0.85 UBE2M (0.53) NPC1RAB9AL3MBTL1USP30
SCHEMBL12178005 0.83 GPR119 (0.45) GPR119CHEK2PDE4APDE4BPDE4C
SCHEMBL2583595 0.81 GPR119 (0.58) GPR119
SCHEMBL20552517 0.81 RAB9A (0.53) NPC1RAB9AGPR119L3MBTL1PIK3CA
SCHEMBL2591810 0.81 RAB9A (0.74) NPC1RAB9AGPR119PIK3CA
SCHEMBL31286843 0.80 L3MBTL1 (0.48) NPC1RAB9AL3MBTL1USP30PIK3CA
SCHEMBL2589502 0.80 PDE4B (0.47) GPR119CHEK2L3MBTL1PDE4BPIK3CA
SCHEMBL31286781 0.79 GLS (0.57) NPC1RAB9AL3MBTL1USP30

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-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
EP-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 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 (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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 ACACB 4238/4885NPC1 967/4885RAB9A 579/4885

“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.