SCHEMBL17317606

SCHEMBL17317606

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 3/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL17328094 0.92 HTR6 (0.43) KCNK3ENPP2FNTAFNTBDPP4
SCHEMBL17328130 0.91 KCNK3 (0.49) KCNK3ENPP2FNTAFNTBDPP4
SCHEMBL17317547 0.90 ENPP2 (0.42) KCNK3ENPP2DPP4DPP8DPP9
SCHEMBL19110869 0.90 ENPP2 (0.42) KCNK3ENPP2FNTAFNTBTSHR
SCHEMBL17317584 0.90 KCNK3 (0.44) KCNK3ENPP2FNTAFNTBDPP4
SCHEMBL17328118 0.88 KCNK3 (0.41) KCNK3ENPP2FNTAFNTBDPP4
Formic Acid SCHEMBL17317592 0.87 KCNK3 (0.42) KCNK3ENPP2FNTAFNTBDPP4
SCHEMBL17328119 0.87 KCNK3 (0.42) KCNK3ENPP2DPP4DPP8DPP9
SCHEMBL17317505 0.86 KCNK3 (0.45) KCNK3ENPP2DPP4DPP8DPP9
SCHEMBL17317897 0.85 ENPP2 (0.43) KCNK3ENPP2DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 — — US claimed
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 — — US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — US disclosed
EP-3152206-A1 ATX MODULATING AGENTS Biogen MA Inc. (US) 2017-04-12 — — EP disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 — — WO 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 (2 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 KCNK3 1825/4885ENPP2 1/4885FNTA 950/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 KCNK3 1825/4885ENPP2 1/4885FNTA 952/4885

“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.

Send feedback