SCHEMBL12415906

SCHEMBL12415906

CC(C)(C)OC(=O)Nc1ccc(NC(=O)N2CCOc3cccnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
LMNA P02545 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TRPA1 O75762 1/20 0.43
KCNH2 Q12809 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
NAMPT P43490 1/20 0.43
KDR P35968 3/20 0.42
SHMT2 P34897 2/20 0.42
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
DGAT1 O75907 1/20 0.41
DRD2 P14416 1/20 0.40
LIPE Q05469 1/20 0.40
LCK P06239 1/20 0.40
MET P08581 1/20 0.40
TEK Q02763 1/20 0.40
TDP2 O95551 1/20 0.40

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
SCHEMBL12415864 0.86 MAPT (0.53) MAPTLMNARXFP1TRPV1KDR
SCHEMBL12415805 0.83 MAPT (0.52) MAPTLMNARXFP1KDRSHMT2
SCHEMBL12415866 0.82 MAPT (0.49) MAPTLMNARXFP1KDRSHMT2
SCHEMBL12415858 0.82 TRPV1 (0.53) MAPTLMNARXFP1TRPA1KCNH2
SCHEMBL12415881 0.82 PANK3 (0.53) MAPTLMNARXFP1TRPV1SHMT2
SCHEMBL12415875 0.82 MAPT (0.54) MAPTLMNARXFP1KDRLCK
SCHEMBL12415883 0.82 MAPT (0.49) MAPTLMNARXFP1TRPA1KCNH2
SCHEMBL12415878 0.82 TP53 (0.50) MAPTLMNARXFP1TRPA1KCNH2
SCHEMBL12415900 0.81 MAPT (0.48) MAPTLMNARXFP1KDRSHMT2
SCHEMBL1092663 0.81 POLB (0.44) TRPA1TRPV1

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.