SCHEMBL4356675

SCHEMBL4356675

COc1ccccc1CN1CCC(n2ncc3c(Oc4ccc(S(C)(=O)=O)cc4)ncnc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
SLC2A1 P11166 1/20 0.43
SLC2A2 P11168 1/20 0.43
SLC2A3 P11169 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
PDE9A O76083 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDR P35968 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL1128932 0.89 CYP3A4 (0.69) CYP3A4KMT2ACYP2C9GPR119CHRM4
SCHEMBL1128946 0.88 CYP3A4 (0.80) CYP3A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL1128689 0.87 CYP3A4 (0.82) CYP3A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL1129071 0.84 CYP3A4 (0.83) CYP3A4MEN1KMT2ACYP2C9GPR119
SCHEMBL1128783 0.83 CYP3A4 (0.82) CYP3A4MEN1KMT2AALDH1A1MAPT
SCHEMBL1128729 0.82 CYP3A4 (0.74) CYP3A4KDM4EALDH1A1CYP2C9TSHR
SCHEMBL4362241 0.81 CYP3A4 (0.78) CYP3A4CYP2C9GPR119
SCHEMBL1128974 0.81 CYP3A4 (0.69) CYP3A4CYP2D6CYP2C9GPR119
SCHEMBL1128847 0.81 CYP3A4 (0.68) CYP3A4PDE9ACYP2C9GPR119
SCHEMBL4364480 0.81 CYP3A4 (1.00) CYP3A4KDRCYP2C9GPR119

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 7 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 claimed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
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
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 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 1503/4885SLC2A1 172/4885SLC2A2 169/4885

“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.