SCHEMBL12415965

SCHEMBL12415965

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
LMNA P02545 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
FGFR4 P22455 1/20 0.42
THRB P10828 3/20 0.42
ALDH1A1 P00352 1/20 0.41
P2RY12 Q9H244 3/20 0.41
DGAT1 O75907 1/20 0.40
HTT P42858 1/20 0.40
FAAH O00519 1/20 0.39
TP53 P04637 1/20 0.39
ABL1 P00519 1/20 0.38
POLB P06746 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL12415963 0.95 MAPT (0.51) MAPTLMNARXFP1FGFR4THRB
SCHEMBL12415966 0.87 MAPT (0.43) MAPTLMNARXFP1FGFR4ALDH1A1
SCHEMBL12415964 0.87 MAPT (0.48) MAPTLMNARXFP1FGFR4THRB
SCHEMBL12415962 0.84 MAPT (0.46) MAPTLMNARXFP1FGFR4THRB
SCHEMBL12415968 0.83 MAPT (0.42) MAPTLMNARXFP1FGFR4ALDH1A1
SCHEMBL12415994 0.83 MAPT (0.52) MAPTLMNARXFP1FGFR4THRB
SCHEMBL12415960 0.80 FAAH (0.47) MAPTLMNARXFP1FGFR4DGAT1
SCHEMBL12415812 0.79 FGFR4 (0.51) MAPTLMNARXFP1FGFR4THRB
SCHEMBL12416358 0.79 MAPT (0.64) MAPTLMNARXFP1FGFR4THRB
SCHEMBL12415953 0.78 FGFR4 (0.47) MAPTLMNARXFP1FGFR4THRB

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 2999/4885LMNA 4160/4885RXFP1 3699/4885

“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.