SCHEMBL6917708

SCHEMBL6917708

CCOC(=O)C[C@H]1CC[C@@H](N(CC2CCCC2)CC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TRPM2 O94759 1/20 0.35
ATM Q13315 1/20 0.34
MCHR1 Q99705 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
TSHR P16473 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL6918161 1.00 ALDH1A1 (0.39) ALDH1A1KDM4ECYP11B1CYP11B2MGLL
SCHEMBL6917109 0.86 MGLL (0.35) MGLLMCHR1
SCHEMBL6917695 0.86 MGLL (0.35) MGLLMCHR1
SCHEMBL1709490 0.81 ALDH1A1 (0.38) ALDH1A1KDM4ECYP11B1CYP11B2MGLL
SCHEMBL1709474 0.81 ALDH1A1 (0.38) ALDH1A1KDM4ECYP11B1CYP11B2MGLL
SCHEMBL6917699 0.80 PSEN1 (0.40) MCHR1
SCHEMBL6918702 0.76 FFAR1 (0.40) UBE2MDCUN1D1
SCHEMBL6918652 0.72 MDM2 (0.41)
SCHEMBL6917411 0.72 MDM2 (0.31)
SCHEMBL6917599 0.72 DGAT1 (0.40) KCNH2

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 ALDH1A1 1743/4885KDM4E 2347/4885CYP11B1 924/4885

“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.