SCHEMBL6918641

SCHEMBL6918641

COC(=O)CC1CC[C@@H](N(CCC(C)C)CCC(F)(F)F)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.44
PSEN2 P49810 10/20 0.44
APH1B Q8WW43 10/20 0.44
NCSTN Q92542 10/20 0.44
APH1A Q96BI3 10/20 0.44
PSENEN Q9NZ42 10/20 0.44
RORC P51449 1/20 0.36
IDO1 P14902 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL13964513 0.92 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315797 0.90 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359941 0.90 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836441 0.90 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10032982 0.84 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6917898 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13964516 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2314367 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2320297 0.78 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2316015 0.77 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 2 patents. 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
WO-2011092611-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-08-04 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-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.