SCHEMBL1839335

SCHEMBL1839335

COCc1noc(N2CCC(CCCOc3ccc(C(=O)NC(CO)CO)c(C)c3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GPR119 Q8TDV5 5/20 0.36
HRH3 Q9Y5N1 4/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL12513050 0.93 NPC1 (0.39) RAB9ANPC1GPR119HRH3MEN1
SCHEMBL2372270 0.92 GPR119 (0.37) RAB9ANPC1GPR119HRH3DRD2
SCHEMBL2371088 0.91 HRH3 (0.37) RAB9ANPC1GPR119HRH3KCNH2
SCHEMBL2372154 0.91 GPR119 (0.36) RAB9ANPC1GPR119HRH3KCNH2
SCHEMBL1839336 0.89 RAB9A (0.38) RAB9ANPC1GPR119MEN1KMT2A
SCHEMBL1841959 0.88 RAB9A (0.41) RAB9ANPC1GPR119HRH3MEN1
SCHEMBL2370849 0.88 GPR119 (0.48) RAB9ANPC1GPR119HRH3KCNH2
SCHEMBL2220450 0.88 GPR119 (0.37) RAB9ANPC1GPR119HRH3DRD2
SCHEMBL1842890 0.87 NPC1 (0.41) RAB9ANPC1GPR119
SCHEMBL2216789 0.87 GPR119 (0.41) RAB9ANPC1GPR119HRH3KCNH2

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-20110178054-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2011-07-21 US disclosed
US-20110178054-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2011-07-21 US disclosed
EP-2321305-A1 HETEROCYCLIC GPCR AGONISTS Prosidion Limited (GB) 2011-05-18 EP disclosed
WO-2010004348-A1 HETEROCYCLIC GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 WO disclosed
WO-2010004348-A1 HETEROCYCLIC GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 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-20110178054-A1 Heterocyclic GPCR Agonists GPR119, GCGR, GPR27 RAB9A 585/4885NPC1 817/4885GPR119 1/4885

“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.