SCHEMBL757612

SCHEMBL757612

COc1cc(C(=O)N[C@H]2CCc3ccc(Cl)cc32)ccc1-n1cnc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.57
PSEN2 P49810 10/20 0.57
APH1B Q8WW43 10/20 0.57
NCSTN Q92542 10/20 0.57
APH1A Q96BI3 10/20 0.57
PSENEN Q9NZ42 10/20 0.57
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
WDR5 P61964 4/20 0.49
ROCK2 O75116 1/20 0.47
KMT2A Q03164 2/20 0.43
PDE10A Q9Y233 1/20 0.43
SLC5A7 Q9GZV3 1/20 0.43

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
SCHEMBL758318 0.85 PDE4A (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920439 0.84 KMT2A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11903267 0.84 KMT2A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761472 0.84 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6853438 0.83 PDE4A (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761019 0.78 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL760378 0.78 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8819332 0.77 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6852850 0.77 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1239305 0.77 PDE4A (0.49) 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 1 patent. 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

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.