SCHEMBL4359112

SCHEMBL4359112

O=C(O)N1CCC(n2ncc3c(Oc4ccc(-c5ccsc5)cc4)ncnc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
BTK Q06187 9/20 0.38
EGFR P00533 3/20 0.38
FLT3 P36888 2/20 0.37
CYP2C9 P11712 1/20 0.35
LCK P06239 1/20 0.35
ITK Q08881 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
LTA4H P09960 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
SCHEMBL1128338 0.88 CYP3A4 (0.72) CYP3A4CYP2C9
SCHEMBL1128417 0.85 CYP3A4 (0.60) CYP3A4BTKEGFRFLT3CYP2C9
SCHEMBL4354583 0.85 CYP3A4 (0.60) CYP3A4BTKEGFRFLT3CYP2C9
SCHEMBL4352334 0.85 CYP3A4 (0.62) CYP3A4BTKFLT3CYP2C9ALDH1A1
SCHEMBL4353817 0.83 CYP3A4 (0.58) CYP3A4BTKEGFRFLT3CYP2C9
SCHEMBL4360972 0.83 CYP3A4 (0.60) CYP3A4BTKEGFRFLT3CYP2C9
SCHEMBL4355637 0.83 CYP3A4 (0.60) CYP3A4BTKFLT3CYP2C9ALDH1A1
SCHEMBL4355956 0.82 CYP3A4 (0.57) CYP3A4BTKEGFRFLT3CYP2C9
SCHEMBL4356756 0.81 CYP3A4 (0.61) CYP3A4BTKEGFRFLT3CYP2C9
SCHEMBL2019784 0.81 CYP3A4 (0.79) CYP3A4CYP2C9

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 1503/4885BTK 4379/4885EGFR 947/4885

“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.