SCHEMBL12415966

SCHEMBL12415966

O=C(O)CCc1ccc2c(n1)N(C(=O)Nc1ccccc1)CCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
FAAH O00519 4/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FGFR4 P22455 2/20 0.42
DGAT1 O75907 3/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SOAT2 O75908 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GPR142 Q7Z601 1/20 0.41
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDR P35968 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3R1 P27986 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
SCHEMBL12415968 0.94 MAPT (0.42) MAPTFAAHLMNARXFP1FGFR4
SCHEMBL12415964 0.89 MAPT (0.48) MAPTFAAHLMNARXFP1FGFR4
SCHEMBL12415965 0.87 MAPT (0.52) MAPTFAAHLMNARXFP1FGFR4
SCHEMBL12415962 0.86 MAPT (0.46) MAPTFAAHLMNARXFP1FGFR4
SCHEMBL12415960 0.86 FAAH (0.47) MAPTFAAHLMNARXFP1FGFR4
SCHEMBL12415963 0.84 MAPT (0.51) MAPTFAAHLMNARXFP1FGFR4
SCHEMBL12415953 0.81 FGFR4 (0.47) MAPTFAAHLMNARXFP1FGFR4
SCHEMBL12415898 0.81 FGFR4 (0.46) MAPTFAAHLMNARXFP1FGFR4
SCHEMBL12415815 0.81 KDR (0.46) MAPTFAAHLMNARXFP1FGFR4
SCHEMBL12415812 0.81 FGFR4 (0.51) MAPTFAAHLMNARXFP1FGFR4

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-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-07-14 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-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R3, AKT3, AKT2 MAPT 2999/4885FAAH 4765/4885LMNA 4160/4885

“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.