SCHEMBL6917699

SCHEMBL6917699

CC(C)CN(CC1CCCC1)[C@@H]1CC[C@@H](CC(=O)O)O[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.40
PSEN2 P49810 6/20 0.40
APH1B Q8WW43 6/20 0.40
NCSTN Q92542 6/20 0.40
APH1A Q96BI3 6/20 0.40
PSENEN Q9NZ42 6/20 0.40
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A3 Q01959 3/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
IDO1 P14902 1/20 0.33
CXCR3 P49682 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL6917695 0.91 MGLL (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6917109 0.91 MGLL (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2318915 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6918702 0.81 FFAR1 (0.40)
SCHEMBL6918161 0.80 ALDH1A1 (0.39) MCHR1
SCHEMBL6917708 0.80 ALDH1A1 (0.39) MCHR1
SCHEMBL13836326 0.78 TACR1 (0.39) SLC6A2SLC6A4
SCHEMBL13835957 0.78 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6918652 0.78 MDM2 (0.41) SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL6917411 0.78 MDM2 (0.31)

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 4 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
US-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 US disclosed
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.