SCHEMBL13836591

SCHEMBL13836591

CC(C)(C#N)CCC(N[C@@H]1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.41
PSEN2 P49810 11/20 0.41
APH1B Q8WW43 11/20 0.41
NCSTN Q92542 11/20 0.41
APH1A Q96BI3 11/20 0.41
PSENEN Q9NZ42 11/20 0.41
DPP4 P27487 1/20 0.38
F2R P25116 2/20 0.35
MAOA P21397 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL13836606 0.77 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2318593 0.75 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836698 0.74 KDM1A (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836164 0.71 DPEP1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836740 0.68 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836267 0.68 P2RY14 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836451 0.68 P2RY14 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836638 0.67 CXCR3 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10033194 0.67 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836117 0.66 PSEN1 (0.40) 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-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 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-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 6/4885APH1B 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.