SCHEMBL17317563

SCHEMBL17317563

O=C(O)C1CCN(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.47
▸ KCNK3 O14649 6/20 0.42
▸ DPP4 P27487 2/20 0.41
▸ DPP8 Q6V1X1 2/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ S1PR5 Q9H228 2/20 0.39
▸ SLC6A1 P30531 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 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
SCHEMBL17317758 0.96 ENPP2 (0.52) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17317781 0.95 ENPP2 (0.52) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17317604 0.94 KCNK3 (0.44) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17317526 0.92 ENPP2 (0.50) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17317792 0.90 KCNK3 (0.42) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17317633 0.89 DPP4 (0.43) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17317509 0.88 KCNK3 (0.41) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17317872 0.88 KCNK3 (0.42) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL19110835 0.88 ENPP2 (0.48) ENPP2KCNK3S1PR5CYP2D6HRH1
SCHEMBL17328186 0.87 KCNK3 (0.44) ENPP2KCNK3DPP4DPP8DPP7

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 ENPP2 1/4885KCNK3 1825/4885DPP4 2232/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 ENPP2 1/4885KCNK3 1825/4885DPP4 2235/4885

“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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