SCHEMBL6918804

SCHEMBL6918804

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOB P27338 4/20 0.43
MAOA P21397 2/20 0.43
P2RY14 Q15391 4/20 0.41
KDM1A O60341 3/20 0.41
HTR2C P28335 1/20 0.40
RORC P51449 1/20 0.37
FFAR1 O14842 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
KCNH2 Q12809 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 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
SCHEMBL6918303 0.86 KDM1A (0.47) KDM1A
SCHEMBL13836451 0.85 P2RY14 (0.46) MAOBMAOAP2RY14KDM1AHTR2C
SCHEMBL13836267 0.85 P2RY14 (0.46) MAOBMAOAP2RY14KDM1AHTR2C
SCHEMBL6917416 0.84 MDM2 (0.48)
SCHEMBL6917744 0.83 HRH3 (0.44) MAOBKDM1AKCNH2PSEN1PSEN2
SCHEMBL14984450 0.80 DGAT1 (0.47) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL6918797 0.79 MAOB (0.42) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL8209905 0.76 KDM4E (0.42) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL1039190 0.76 KDM4E (0.42) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL9965883 0.76 KDM4E (0.42) 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 KDM4E 2347/4885ALDH1A1 1743/4885POLB 2076/4885

“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.