SCHEMBL4357350

SCHEMBL4357350

O=C(O)N1CCC(n2ncc3c(Oc4cccc5ncccc45)ncnc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
GPBAR1 Q8TDU6 1/20 0.41
SLC2A1 P11166 1/20 0.39
SLC2A2 P11168 1/20 0.39
SLC2A3 P11169 1/20 0.39
GCK P35557 1/20 0.39
PDGFRB P09619 1/20 0.38
ABCB1 P08183 1/20 0.37
BTK Q06187 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
DRD3 P35462 1/20 0.36
JAK1 P23458 1/20 0.35
FLT3 P36888 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL1128534 0.89 CYP3A4 (0.64) CYP3A4GCKCYP2C9GPR119NR3C1
SCHEMBL1128538 0.88 CYP3A4 (0.53) CYP3A4SLC2A1SLC2A2SLC2A3GPR119
SCHEMBL4355613 0.85 CYP3A4 (0.48) CYP3A4SLC2A1SLC2A2SLC2A3GCK
SCHEMBL4368392 0.83 CYP3A4 (0.51) CYP3A4SLC2A1SLC2A2SLC2A3BTK
SCHEMBL1128417 0.81 CYP3A4 (0.60) CYP3A4SLC2A1SLC2A2SLC2A3BTK
SCHEMBL4351830 0.81 CYP3A4 (0.54) CYP3A4BTKCYP2C9RAB9AFLT3
SCHEMBL4358056 0.81 CYP3A4 (0.49) CYP3A4SLC2A1SLC2A2SLC2A3CYP2C9
SCHEMBL4354583 0.79 CYP3A4 (0.60) CYP3A4BTKCYP2C9MAPTSMN1; SMN2
SCHEMBL4352334 0.79 CYP3A4 (0.62) CYP3A4SLC2A1SLC2A2SLC2A3BTK
SCHEMBL4356350 0.79 CYP3A4 (0.51) CYP3A4MAPTFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CYP3A4 1503/4885GPBAR1 18/4885SLC2A1 172/4885

“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.