SCHEMBL12415869

SCHEMBL12415869

O=C(Nc1ccccc1-c1ccccc1)N1CCOc2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.47
THRB P10828 2/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP11B2 P19099 1/20 0.42
ATM Q13315 1/20 0.42
GRM5 P41594 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ALOX15 P16050 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL12415902 0.85 HCAR2 (0.48) RXFP1THRBMAPTGRM5POLB
SCHEMBL12415867 0.84 RXFP1 (0.54) RXFP1THRBMAPTSMN1; SMN2GRM5
SCHEMBL12415805 0.83 MAPT (0.52) RXFP1THRBMAPTALDH1A1KDM4E
SCHEMBL12415865 0.83 KMT2A (0.54) RXFP1THRBMAPTALDH1A1KDM4E
SCHEMBL12415880 0.83 MAPT (0.54) RXFP1THRBMAPTKDM4ETSHR
SCHEMBL12415887 0.81 RXFP1 (0.56) RXFP1THRBMAPTALDH1A1KDM4E
SCHEMBL12415875 0.78 MAPT (0.54) RXFP1MAPTALDH1A1TSHRGAA
SCHEMBL12415900 0.77 MAPT (0.48) RXFP1THRBMAPTPOLBLMNA
SCHEMBL12415864 0.77 MAPT (0.53) RXFP1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL19859246 0.76 CYP11B2 (0.47) RXFP1MAPTCYP11B2GRM5POLB

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 RXFP1 3699/4885THRB 2639/4885MAPT 2999/4885

“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.