SCHEMBL17317897

SCHEMBL17317897

O=C(O)N1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.43
▸ KCNK3 O14649 7/20 0.43
▸ DPP4 P27487 2/20 0.40
▸ DPP8 Q6V1X1 2/20 0.40
▸ DPP7 Q9UHL4 2/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ IDH1 O75874 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
SCHEMBL17317547 0.95 ENPP2 (0.42) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17317647 0.95 ENPP2 (0.46) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17317505 0.90 KCNK3 (0.45) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17328118 0.89 KCNK3 (0.41) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17328165 0.89 ENPP2 (0.47) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL19097241 0.89 ENPP2 (0.47) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17328080 0.89 ENPP2 (0.47) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17317648 0.87 KCNK3 (0.43) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17328130 0.87 KCNK3 (0.49) ENPP2KCNK3DPP4DPP8DPP7
SCHEMBL17317584 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 4 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 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

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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