SCHEMBL6917430

SCHEMBL6917430

O=C(O)C[C@@H]1CC[C@@H](N(CCC2CCCCO2)CC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.36
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
SOAT1 P35610 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
OXTR P30559 3/20 0.32
AVPR1A P37288 2/20 0.32
PDE2A O00408 1/20 0.31
PIM1 P11309 1/20 0.31
RIPK1 Q13546 1/20 0.31
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
EDNRB P24530 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL10032990 0.89 PSEN1 (0.38) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL2315989 0.89 PSEN1 (0.38) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL2317127 0.86 PSEN1 (0.41) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL6917779 0.86 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1709487 0.85 PSEN1 (0.40) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL2317862 0.85 PSEN1 (0.40) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL2315528 0.85 PSEN1 (0.40) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL1709485 0.85 PSEN1 (0.40) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL2319230 0.85 PSEN1 (0.43) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL10032987 0.84 PSEN1 (0.39) DGAT1PSEN1PSEN2APH1BNCSTN

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 5 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 claimed
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 DGAT1 3607/4885PSEN1 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.