SCHEMBL2315414

SCHEMBL2315414

O=C(O)C[C@@H]1CC[C@@H](N(Cc2cccc(Cl)c2)CC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 12/20 0.37
TP53 P04637 9/20 0.37
TACR1 P25103 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
DGAT1 O75907 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR2 O15552 1/20 0.36
MGLL Q99685 1/20 0.35
LTC4S Q16873 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
SCHEMBL2315428 0.91 PKM (0.38) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL6918642 0.90 MAOA (0.39) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL2316326 0.90 PSEN1 (0.42) MDM2TP53PSEN1PSEN2APH1B
SCHEMBL2317127 0.85 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2318519 0.85 SIGMAR1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315145 0.84 MEN1 (0.38) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL2317862 0.84 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2315528 0.84 PSEN1 (0.40) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1709485 0.84 PSEN1 (0.40) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL14108430 0.83 PSEN1 (0.35) TACR1PSEN1PSEN2APH1BNCSTN

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 3 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
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 MDM2 1049/4885TP53 1502/4885TACR1 389/4885

“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.