SCHEMBL12415858

SCHEMBL12415858

O=C(Nc1ccc(Cl)cc1)N1CCOc2cccnc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.53
MAPT P10636 2/20 0.51
TP53 P04637 2/20 0.51
THRB P10828 1/20 0.51
KDR P35968 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
LCK P06239 1/20 0.47
MET P08581 1/20 0.47
TEK Q02763 1/20 0.47
SHMT2 P34897 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45
TRPA1 O75762 1/20 0.45
KCNH2 Q12809 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45

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 0.89 MAPT (0.53) TRPV1MAPTTP53KDRLMNA
SCHEMBL12415805 0.89 MAPT (0.52) MAPTTHRBKDRLMNAGAA
SCHEMBL12415866 0.88 MAPT (0.49) MAPTTP53KDRLMNARXFP1
SCHEMBL12415881 0.87 PANK3 (0.53) TRPV1MAPTTP53LMNARXFP1
SCHEMBL12415863 0.87 TP53 (0.62) MAPTTP53THRBKDRGAA
SCHEMBL12415900 0.87 MAPT (0.48) MAPTTP53THRBKDRLMNA
SCHEMBL12415875 0.85 MAPT (0.54) MAPTKDRLMNAGAARXFP1
SCHEMBL12415878 0.85 TP53 (0.50) TRPV1MAPTTP53THRBKDR
SCHEMBL12415883 0.85 MAPT (0.49) TRPV1MAPTTP53THRBKDR
SCHEMBL12415872 0.84 NPSR1 (0.53) TRPV1MAPTTP53KDRLMNA

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 TRPV1 3967/4885MAPT 2999/4885TP53 423/4885

“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.