SCHEMBL759732

SCHEMBL759732

COc1cc(C(=O)NC(C)CCc2ccccc2)ccc1-n1cnc(C)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.66
PSEN2 P49810 8/20 0.66
APH1B Q8WW43 8/20 0.66
NCSTN Q92542 8/20 0.66
APH1A Q96BI3 8/20 0.66
PSENEN Q9NZ42 8/20 0.66
TAS1R3 Q7RTX0 1/20 0.63
TAS1R1 Q7RTX1 1/20 0.63
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL6852566 0.83 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761534 0.82 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758290 0.81 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL756985 0.80 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759006 0.79 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759708 0.79 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL195114 0.79 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759707 0.79 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854507 0.79 PSEN1 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761504 0.79 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A

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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2011059048-A1 NOVEL AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO 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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 7/4885

“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.