SCHEMBL6918797

SCHEMBL6918797

COC(=O)C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](N)CO1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.42
MAOA P21397 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2C P28335 1/20 0.39
LMNA P02545 1/20 0.37
KDM1A O60341 5/20 0.37
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
P2RY14 Q15391 4/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM1B Q8NB78 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35

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
SCHEMBL13836339 0.80 KDM1A (0.48) MAOBMAOAKDM4EALDH1A1POLB
SCHEMBL6918804 0.79 KDM4E (0.45) MAOBMAOAKDM4EALDH1A1POLB
SCHEMBL13836054 0.79 KDM4E (0.35) MAOBKDM4EALDH1A1POLBGAA
SCHEMBL12813765 0.69 KDM1A (0.63) MAOBMAOAHTR2CLMNAKDM1A
SCHEMBL12813766 0.69 KDM1A (0.63) MAOBMAOAHTR2CLMNAKDM1A
SCHEMBL14984450 0.68 DGAT1 (0.47) KDM4EALDH1A1POLBGAAMAPK1
Hydrochloric Acid SCHEMBL15091773 0.68 HTR2C (0.62) MAOBMAOAHTR2CLMNAKDM1A
Hydrochloric Acid SCHEMBL15091771 0.68 HTR2C (0.62) MAOBMAOAHTR2CLMNAKDM1A
SCHEMBL8267837 0.68 S1PR4 (0.44) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL1797122 0.67 SLC6A2 (0.52) KDM4EALDH1A1POLBGAAMAPK1

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
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 MAOB 1516/4885MAOA 1171/4885KDM4E 2347/4885

“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.