SCHEMBL2364133

SCHEMBL2364133

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.48
MAOB P27338 5/20 0.47
MAOA P21397 3/20 0.44
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RORC P51449 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DPP4 P27487 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL13836639 0.89 KDM1A (0.50) KDM1AMAOBMAOAHDAC6RORC
SCHEMBL13836077 0.87 KDM1A (0.50) KDM1AMAOBMAOAPPARGPPARA
SCHEMBL15091524 0.83 KDM1A (0.67) KDM1AMAOBMAOAEPHX2KDM4E
SCHEMBL15091522 0.83 KDM1A (0.67) KDM1AMAOBMAOAEPHX2KDM4E
SCHEMBL13836132 0.79 MAOB (0.48) KDM1AMAOBMAOAEPHX2KDM4E
SCHEMBL13836130 0.79 MAOB (0.48) KDM1AMAOBMAOAEPHX2KDM4E
SCHEMBL13836589 0.78 MAOB (0.49) KDM1AMAOBMAOAEPHX2KDM4E
SCHEMBL13836670 0.75 MAOB (0.46) KDM1AMAOBMAOA
SCHEMBL20073175 0.72 SCN9A (0.42) KDM1AMAOBMAOAKDM4EALDH1A1
SCHEMBL20072884 0.72 SCN9A (0.42) KDM1AMAOBMAOAKDM4EALDH1A1

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 KDM1A 3181/4885MAOB 1516/4885MAOA 1171/4885

“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.