SCHEMBL20021981

SCHEMBL20021981

CCCCC(CCC)c1ccc(-n2cnc(C)c2)c(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.44
PSEN2 P49810 18/20 0.44
APH1B Q8WW43 18/20 0.44
NCSTN Q92542 18/20 0.44
APH1A Q96BI3 18/20 0.44
PSENEN Q9NZ42 18/20 0.44
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
APP P05067 2/20 0.39
KCNH2 Q12809 3/20 0.38

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
SCHEMBL20021828 0.93 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12258199 0.80 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6124261 0.79 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL195374 0.77 CYP3A4 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6127800 0.74 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12668349 0.74 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15104419 0.73 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13057230 0.72 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL154721 0.71 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909536 0.71 PSEN1 (0.51) 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-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION 2018-04-05 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-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP PSEN1 4/4885PSEN2 7/4885APH1B 8/4885

“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.