SCHEMBL4358909

SCHEMBL4358909

O=C(O)N1CCC(n2ncc3c(Oc4cc(F)c(F)cc4F)ncnc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 2/20 0.44
GPR119 Q8TDV5 4/20 0.37
KCNH2 Q12809 1/20 0.37
PDE9A O76083 2/20 0.37
KMT2A Q03164 1/20 0.37
EGFR P00533 1/20 0.37
BTK Q06187 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
SLC2A1 P11166 1/20 0.36
SLC2A2 P11168 1/20 0.36
SLC2A3 P11169 1/20 0.36
FLT3 P36888 1/20 0.36
NR3C1 P04150 2/20 0.36
PIK3CD O00329 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
SCHEMBL1129328 0.89 CYP3A4 (0.52) CYP3A4CYP2C9GPR119KCNH2PDE9A
SCHEMBL1128224 0.88 CYP3A4 (0.66) CYP3A4CYP2C9GPR119NR3C1PIK3CD
SCHEMBL1128654 0.88 CYP3A4 (0.51) CYP3A4CYP2C9GPR119KCNH2
SCHEMBL4368392 0.87 CYP3A4 (0.51) CYP3A4CYP2C9GPR119PDE9ABTK
SCHEMBL4468923 0.86 CYP3A4 (0.47) CYP3A4CYP2C9GPR119KMT2ASMN1; SMN2
SCHEMBL1129187 0.85 CYP3A4 (0.61) CYP3A4CYP2C9GPR119KCNH2
SCHEMBL4328580 0.85 CYP3A4 (0.51) CYP3A4CYP2C9GPR119KCNH2PDE9A
SCHEMBL4368642 0.85 GPR119 (0.49) CYP3A4CYP2C9GPR119PDE9AFLT3
SCHEMBL1128285 0.85 CYP3A4 (0.48) CYP3A4CYP2C9GPR119KCNH2KMT2A
SCHEMBL4354583 0.83 CYP3A4 (0.60) CYP3A4CYP2C9KCNH2EGFRBTK

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 1503/4885CYP2C9 917/4885GPR119 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.