SCHEMBL4355637

SCHEMBL4355637

CCOc1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.60
PDE9A O76083 2/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SRC P12931 2/20 0.42
FLT3 P36888 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
CNR1 P21554 1/20 0.40
BTK Q06187 1/20 0.39
CYP2C9 P11712 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
SCHEMBL4352334 0.90 CYP3A4 (0.62) CYP3A4PDE9AMAPTKDM4ESRC
SCHEMBL1128417 0.89 CYP3A4 (0.60) CYP3A4KDM4EFLT3ALDH1A1SMN1; SMN2
SCHEMBL4328580 0.88 CYP3A4 (0.51) CYP3A4PDE9AMAPTKDM4ESRC
SCHEMBL4360972 0.88 CYP3A4 (0.60) CYP3A4MAPTFLT3ALDH1A1SMN1; SMN2
SCHEMBL4354583 0.88 CYP3A4 (0.60) CYP3A4MAPTFLT3SMN1; SMN2BTK
SCHEMBL9006926 0.88 CYP3A4 (0.61) CYP3A4PDE9AMAPTKDM4ESRC
SCHEMBL1128622 0.88 CYP3A4 (0.78) CYP3A4SRCGPR119CYP2C9
SCHEMBL4355956 0.87 CYP3A4 (0.57) CYP3A4PDE9AFLT3GPR119BTK
SCHEMBL2019784 0.87 CYP3A4 (0.79) CYP3A4GPR119CYP2C9
SCHEMBL4356756 0.87 CYP3A4 (0.61) CYP3A4FLT3GPR119BTKCYP2C9

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 1503/4885PDE9A 528/4885MAPT 4583/4885

“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.