SCHEMBL13836451

SCHEMBL13836451

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 4/20 0.46
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
MAOB P27338 3/20 0.44
MAOA P21397 3/20 0.44
HTR2C P28335 1/20 0.43
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KDM1A O60341 4/20 0.41
FFAR4 Q5NUL3 5/20 0.41
RCOR1 Q9UKL0 1/20 0.38

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
SCHEMBL13836267 1.00 P2RY14 (0.46) P2RY14PSEN1PSEN2APH1BNCSTN
SCHEMBL6918804 0.85 KDM4E (0.45) P2RY14PSEN1PSEN2APH1BNCSTN
SCHEMBL13836605 0.82 DGAT1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2317127 0.77 PSEN1 (0.41) P2RY14PSEN1PSEN2APH1BNCSTN
SCHEMBL2314304 0.77 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836698 0.77 KDM1A (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315528 0.77 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1709487 0.77 PSEN1 (0.40) P2RY14PSEN1PSEN2APH1BNCSTN
SCHEMBL1709485 0.77 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2317862 0.77 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528890-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-12-05 EP disclosed
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 P2RY14 654/4885PSEN1 3/4885PSEN2 6/4885

“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.