SCHEMBL6419218

SCHEMBL6419218

CC(C)N[C@@H]1CCN(C(=O)C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.45
EPHX2 P34913 8/20 0.43
KDM1A O60341 1/20 0.41
CYP2D6 P10635 2/20 0.40
MCHR1 Q99705 2/20 0.40
ALDH1A1 P00352 1/20 0.37
KDM5A P29375 3/20 0.36
TEAD1 P28347 2/20 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
SCHEMBL26139073 0.85 ALDH1A1 (0.45) EPHX1EPHX2CYP2D6MCHR1ALDH1A1
SCHEMBL26140553 0.85 ALDH1A1 (0.45) EPHX1EPHX2CYP2D6MCHR1ALDH1A1
SCHEMBL13162268 0.83 EPHX1 (0.47) EPHX1EPHX2KDM1AMCHR1ALDH1A1
SCHEMBL13638962 0.83 EPHX1 (0.47) EPHX1EPHX2KDM1AMCHR1ALDH1A1
SCHEMBL6419317 0.83 EPHX1 (0.45) EPHX1EPHX2KDM1AKDM5ATEAD1
SCHEMBL4635146 0.83 EPHX1 (0.45) EPHX1EPHX2KDM1AKDM5ATEAD1
Hydrochloric Acid SCHEMBL2772564 0.81 EPHX1 (0.46) EPHX1EPHX2KDM1ACYP2D6MCHR1
SCHEMBL24767079 0.79 EPHX2 (0.51) EPHX1EPHX2CYP2D6MCHR1ALDH1A1
SCHEMBL16906841 0.79 EPHX2 (0.51) EPHX1EPHX2CYP2D6MCHR1ALDH1A1
SCHEMBL27161625 0.79 CYP2D6 (0.40) EPHX1EPHX2CYP2D6MCHR1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 US 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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A EPHX1 1834/4885EPHX2 1291/4885KDM1A 3725/4885

“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.