SCHEMBL22809574

SCHEMBL22809574

NCCOc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
PDE2A O00408 1/20 0.43
EPHX2 P34913 1/20 0.43
PDK2 Q15119 2/20 0.43
TAAR1 Q96RJ0 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
LTA4H P09960 2/20 0.40
PLA2G2A P14555 1/20 0.40
FFAR1 O14842 2/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL28350715 0.98 SLC7A5 (0.49) SLC7A5PDE2AEPHX2PDK2TAAR1
Hydrochloric Acid SCHEMBL30450035 0.98 SLC7A5 (0.49) SLC7A5PDE2AEPHX2PDK2TAAR1
SCHEMBL22809647 0.87 SMN1; SMN2 (0.42) SLC7A5PDE2APDK2TAAR1LTA4H
SCHEMBL22809649 0.81 PDK2 (0.45) SLC7A5PDE2AEPHX2PDK2FFAR4
SCHEMBL28351071 0.81 EPHX2 (0.46) SLC7A5PDE2AEPHX2FFAR4FFAR1
SCHEMBL22208515 0.79 SLC7A5 (0.43) SLC7A5PDE2AEPHX2FFAR4FFAR1
SCHEMBL31697025 0.79 SLC7A5 (0.43) SLC7A5PDE2AEPHX2FFAR4FFAR1
SCHEMBL1290720 0.78 TAAR1 (0.54) SLC7A5PDK2TAAR1FFAR4LTA4H
Hydrochloric Acid SCHEMBL1623669 0.77 TAAR1 (0.52) SLC7A5PDK2TAAR1FFAR4LTA4H
SCHEMBL13863767 0.77 EPHX2 (0.49) SLC7A5PDE2AEPHX2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 US disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 EP 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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A SLC7A5 759/4885PDE2A 497/4885EPHX2 3915/4885

“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.