SCHEMBL17317595

SCHEMBL17317595

O=C(O)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 8/20 0.52
▸ LMNA P02545 3/20 0.44
▸ DPP4 P27487 2/20 0.44
▸ DPP8 Q6V1X1 2/20 0.44
▸ DPP7 Q9UHL4 2/20 0.44
▸ DPP9 Q86TI2 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ IDH1 O75874 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ POLQ O75417 1/20 0.41

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
SCHEMBL17317933 0.92 MAPT (0.49) KCNK3LMNADPP4DPP8DPP7
SCHEMBL19097305 0.91 KCNK3 (0.52) KCNK3LMNATSHRNPSR1MAPT
SCHEMBL17317515 0.91 POLB (0.47) KCNK3LMNATSHRNPSR1MAPT
SCHEMBL17317620 0.90 MAPT (0.49) KCNK3LMNATSHRNPSR1MAPT
SCHEMBL17317858 0.89 KCNK3 (0.50) KCNK3LMNADPP4DPP8DPP7
SCHEMBL17317647 0.88 ENPP2 (0.46) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317932 0.87 SMN1; SMN2 (0.52) KCNK3LMNATSHRNPSR1MAPT
SCHEMBL17317558 0.87 KCNK3 (0.48) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317756 0.86 KCNK3 (0.48) KCNK3IDH1
SCHEMBL17317897 0.86 ENPP2 (0.43) KCNK3DPP4DPP8DPP7DPP9

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 KCNK3 1825/4885LMNA 2678/4885DPP4 2232/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 KCNK3 1825/4885LMNA 2685/4885DPP4 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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