SCHEMBL4368392

SCHEMBL4368392

O=C(O)N1CCC(n2ncc3c(Oc4ccccc4F)ncnc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 1/20 0.44
SLC2A1 P11166 1/20 0.43
SLC2A2 P11168 1/20 0.43
SLC2A3 P11169 1/20 0.43
HPGD P15428 2/20 0.42
BTK Q06187 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MRGPRX1 Q96LB2 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL1128487 0.88 CYP3A4 (0.68) CYP3A4CYP2C9SLC2A1SLC2A2SLC2A3
SCHEMBL4358909 0.87 CYP3A4 (0.50) CYP3A4CYP2C9SLC2A1SLC2A2SLC2A3
SCHEMBL1128417 0.87 CYP3A4 (0.60) CYP3A4CYP2C9SLC2A1SLC2A2SLC2A3
SCHEMBL4354583 0.86 CYP3A4 (0.60) CYP3A4CYP2C9HPGDBTKSMN1; SMN2
SCHEMBL4358056 0.86 CYP3A4 (0.49) CYP3A4CYP2C9SLC2A1SLC2A2SLC2A3
SCHEMBL1128538 0.85 CYP3A4 (0.53) CYP3A4SLC2A1SLC2A2SLC2A3GPR119
SCHEMBL4468923 0.85 CYP3A4 (0.47) CYP3A4CYP2C9SLC2A1SLC2A2SLC2A3
SCHEMBL4368642 0.85 GPR119 (0.49) CYP3A4CYP2C9GPR119PDE9A
SCHEMBL1129187 0.85 CYP3A4 (0.61) CYP3A4CYP2C9GPR119
SCHEMBL4328580 0.85 CYP3A4 (0.51) CYP3A4CYP2C9BTKSMN1; SMN2KDM4E

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 917/4885SLC2A1 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.