SCHEMBL17328094

SCHEMBL17328094

CC(C)(C)OC(=O)N1CCCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.43
▸ BCHE P06276 3/20 0.43
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ KCNK3 O14649 3/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ PREP P48147 3/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ GLS O94925 1/20 0.37
▸ BRD3 Q15059 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CCR3 P51677 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
SCHEMBL17328118 0.95 KCNK3 (0.41) HTR6BCHEFNTAFNTBKCNK3
SCHEMBL17317606 0.92 KCNK3 (0.41) HTR6BCHEFNTAFNTBKCNK3
SCHEMBL19110751 0.91 HTR6 (0.44) HTR6BCHEFNTAFNTBKCNK3
SCHEMBL17317871 0.91 KCNK3 (0.44) FNTAFNTBKCNK3ENPP2PREP
SCHEMBL17328130 0.90 KCNK3 (0.49) FNTAFNTBKCNK3ENPP2DPP4
SCHEMBL17317547 0.89 ENPP2 (0.42) KCNK3ENPP2DPP4DPP8DPP9
SCHEMBL17317584 0.88 KCNK3 (0.44) FNTAFNTBKCNK3ENPP2DPP4
SCHEMBL17317679 0.86 KCNK3 (0.49) KCNK3PREPDPP4DPP8DPP9
Formic Acid SCHEMBL17317592 0.86 KCNK3 (0.42) FNTAFNTBKCNK3ENPP2DPP4
SCHEMBL19110783 0.86 PREP (0.42) HTR6BCHEFNTAFNTBKCNK3

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-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — US disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 — — 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 HTR6 454/4885BCHE 1328/4885FNTA 950/4885

“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.

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