SCHEMBL17317554

SCHEMBL17317554

COC(=O)C1CCC(C(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 9/20 0.45
▸ PTGDR2 Q9Y5Y4 2/20 0.41
▸ RORC P51449 3/20 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
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL17328179 0.89 KCNK3 (0.46) KCNK3PTGDR2DPP4DPP8DPP9
SCHEMBL17328180 0.89 KCNK3 (0.46) KCNK3PTGDR2DPP4DPP8DPP9
SCHEMBL17317949 0.89 KCNK3 (0.46) KCNK3PTGDR2DPP4DPP8DPP9
SCHEMBL19110626 0.88 KCNK3 (0.41) KCNK3PTGDR2RORCTSHRSMN1; SMN2
SCHEMBL17317608 0.88 ENPP2 (0.44) KCNK3DPP4DPP8DPP9DPP7
SCHEMBL17317792 0.85 KCNK3 (0.42) KCNK3DPP4DPP8DPP9DPP7
SCHEMBL17317872 0.83 KCNK3 (0.42) KCNK3DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL17317860 0.82 KCNK3 (0.43) KCNK3DPP4DPP8DPP9DPP7
SCHEMBL17317778 0.82 KCNK3 (0.44) KCNK3PTGDR2DPP4DPP8DPP9
SCHEMBL17317923 0.81 ALDH1A1 (0.41) KCNK3DPP4DPP8DPP9DPP7

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 1825/4885PTGDR2 848/4885RORC 4502/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 KCNK3 1825/4885PTGDR2 847/4885RORC 4503/4885

“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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