SCHEMBL13964516

SCHEMBL13964516

CCCN(CCC(C)C)[C@@H]1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.49
PSEN2 P49810 12/20 0.49
APH1B Q8WW43 12/20 0.49
NCSTN Q92542 12/20 0.49
APH1A Q96BI3 12/20 0.49
PSENEN Q9NZ42 12/20 0.49
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
IDO1 P14902 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL2359941 0.91 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315797 0.91 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836441 0.91 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2314367 0.90 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13964513 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2320297 0.88 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6917403 0.88 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13964518 0.86 DGAT1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2316083 0.85 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6917779 0.83 PSEN1 (0.43) 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.