SCHEMBL6736066

SCHEMBL6736066

CCOC(CC(C#N)c1ccccc1OC(F)(F)F)OCC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL6735343 0.79 KCNK3 (0.37) KCNK3KCNK9CYP2D6SLC6A2SLC6A4
SCHEMBL6737194 0.75 KCNK3 (0.39) KCNK3KCNK9PPARGPPARDPPARA
SCHEMBL6839841 0.74 GAA (0.35) KCNK3KCNK9CYP2D6SLC6A2SLC6A4
SCHEMBL6195926 0.74 GAA (0.33) KCNK3KCNK9CYP2D6SLC6A2SLC6A4
SCHEMBL21632117 0.73 FFAR1 (0.41) KCNK3KCNK9
SCHEMBL1095410 0.73 KCNK3 (0.39) KCNK3KCNK9PPARGPPARDPPARA
SCHEMBL6195588 0.73 KCNK3 (0.32) KCNK3KCNK9SLC6A2SLC6A4PPARG
SCHEMBL21631974 0.72 FFAR1 (0.45) KCNK3KCNK9PPARGPPARDPPARA
SCHEMBL21656299 0.71 KCNK3 (0.37) KCNK3KCNK9PPARGPPARDPPARA
SCHEMBL21708650 0.69 KCNK3 (0.36) KCNK3KCNK9PPARG

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-20040072839-A1 1-Phenylalkylpiperazines RECORDATI S.A. (CH) 2004-04-15 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-20040072839-A1 1-Phenylalkylpiperazines HTR5A, HTR1A, HTR1D AR 284/4885KCNK3 1292/4885KCNK9 2812/4885

“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.