SCHEMBL13836638

SCHEMBL13836638

CC(C)C(CC1=CCC2CC1C2(C)C)N[C@@H]1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 16/20 0.42
CYP2D6 P10635 1/20 0.39
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL2316558 0.80 PSEN1 (0.41) CXCR3CYP2D6PSEN1PSEN2APH1B
SCHEMBL13836606 0.79 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836740 0.77 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836698 0.69 KDM1A (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836164 0.68 DPEP1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836277 0.67 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836591 0.67 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836267 0.67 P2RY14 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836451 0.67 P2RY14 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836117 0.65 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 CXCR3 4198/4885CYP2D6 509/4885PSEN1 3/4885

“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.