SCHEMBL6918642

SCHEMBL6918642

O=C(O)C[C@@H]1CC[C@@H](N(Cc2ccccc2)CC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.39
TACR1 P25103 1/20 0.37
LTA4H P09960 1/20 0.37
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
UBE2M P61081 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
MTOR P42345 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
MGLL Q99685 1/20 0.34
HTR2A P28223 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
SCHEMBL2318519 0.93 SIGMAR1 (0.37) MAOALTA4HPSEN1PSEN2APH1B
SCHEMBL2316326 0.92 PSEN1 (0.42) MAOALTA4HPSEN1PSEN2APH1B
SCHEMBL2315428 0.91 PKM (0.38) MAOATACR1PSEN1PSEN2APH1B
SCHEMBL2317127 0.91 PSEN1 (0.41) MAOAPSEN1PSEN2APH1BNCSTN
SCHEMBL2315414 0.90 MDM2 (0.37) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1709485 0.90 PSEN1 (0.40) MAOATACR1PSEN1PSEN2APH1B
SCHEMBL2317862 0.90 PSEN1 (0.40) MAOAPSEN1PSEN2APH1BNCSTN
SCHEMBL2315528 0.90 PSEN1 (0.40) MAOATACR1PSEN1PSEN2APH1B
SCHEMBL2315082 0.90 SLC6A2 (0.38) MAOATACR1PSEN1PSEN2APH1B
SCHEMBL14108430 0.89 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 5 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
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 MAOA 1171/4885TACR1 389/4885LTA4H 572/4885

“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.