SCHEMBL12415797

SCHEMBL12415797

O=C(Nc1ccccc1)N1CCOc2ccc(Nc3ccccc3)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.50
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GPR142 Q7Z601 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FAAH O00519 2/20 0.42
KDR P35968 2/20 0.41
DGAT1 O75907 5/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
SOAT2 O75908 1/20 0.41
NPC1 O15118 2/20 0.40
PKM P14618 2/20 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
SCHEMBL12416171 0.94 GPR142 (0.49) FGFR4MAPTSMN1; SMN2GAAHPGD
SCHEMBL12416028 0.94 MAPT (0.47) FGFR4MAPTSMN1; SMN2GAAHPGD
SCHEMBL12416412 0.91 MAPT (0.46) FGFR4MAPTSMN1; SMN2GAAHPGD
SCHEMBL12416191 0.90 FGFR4 (0.47) FGFR4MAPTGPR142FAAHNPC1
SCHEMBL12416417 0.90 MAPT (0.53) FGFR4MAPTSMN1; SMN2GAAHPGD
SCHEMBL12416029 0.90 MEN1 (0.44) FGFR4MAPTSMN1; SMN2HPGDNPSR1
SCHEMBL12416182 0.89 FGFR4 (0.48) FGFR4MAPTSMN1; SMN2GAALMNA
SCHEMBL12416408 0.89 MAPT (0.50) FGFR4MAPTSMN1; SMN2GAAHPGD
SCHEMBL12416142 0.88 FGFR4 (0.51) FGFR4MAPTLMNARXFP1GPR142
SCHEMBL12416395 0.88 MAPT (0.52) FGFR4MAPTSMN1; SMN2GAAHPGD

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 FGFR4 2012/4885MAPT 2999/4885SMN1; SMN2 1931/4885

“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.