SCHEMBL12415875

SCHEMBL12415875

O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCOc2cccnc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
RXFP1 Q9HBX9 2/20 0.54
LMNA P02545 1/20 0.54
PDGFRB P09619 7/20 0.52
HTT P42858 1/20 0.50
KDR P35968 3/20 0.48
TSHR P16473 2/20 0.47
LCK P06239 1/20 0.47
MET P08581 1/20 0.47
TEK Q02763 1/20 0.47
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.45
GPR142 Q7Z601 1/20 0.44

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
SCHEMBL12415805 0.91 MAPT (0.52) MAPTRXFP1LMNAKDRLCK
SCHEMBL12415884 0.87 MAPT (0.56) MAPTRXFP1LMNANAAAALDH1A1
SCHEMBL12415900 0.86 MAPT (0.48) MAPTRXFP1LMNAKDRLCK
SCHEMBL12415864 0.86 MAPT (0.53) MAPTRXFP1LMNAKDRLCK
SCHEMBL12415858 0.85 TRPV1 (0.53) MAPTRXFP1LMNAKDRLCK
SCHEMBL12415866 0.85 MAPT (0.49) MAPTRXFP1LMNAKDRLCK
SCHEMBL12415877 0.85 MAPT (0.50) MAPTRXFP1LMNAHTTKDR
SCHEMBL12415880 0.85 MAPT (0.54) MAPTRXFP1LMNAKDRTSHR
SCHEMBL12415872 0.83 NPSR1 (0.53) MAPTRXFP1LMNAKDRTSHR
SCHEMBL12415883 0.82 MAPT (0.49) MAPTRXFP1LMNAKDRALDH1A1

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 2999/4885RXFP1 3699/4885LMNA 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.