SCHEMBL17328210

SCHEMBL17328210

O=C(CN[C@H]1CC[C@@H](C(=O)O)CC1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 6/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ DPP4 P27487 2/20 0.39
▸ DPP8 Q6V1X1 2/20 0.39
▸ DPP7 Q9UHL4 2/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ ENPP2 Q13822 4/20 0.39
▸ GRIA2 P42262 3/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL17317917 1.00 KCNK3 (0.42) KCNK3SIGMAR1DPP4DPP8DPP7
SCHEMBL17328195 1.00 KCNK3 (0.42) KCNK3SIGMAR1DPP4DPP8DPP7
SCHEMBL17328191 0.93 KCNK3 (0.43) KCNK3SIGMAR1DPP4DPP8DPP7
SCHEMBL17328198 0.93 KCNK3 (0.43) KCNK3SIGMAR1DPP4DPP8DPP7
SCHEMBL17317616 0.93 KCNK3 (0.43) KCNK3SIGMAR1DPP4DPP8DPP7
SCHEMBL19110855 0.88 KCNK3 (0.43) KCNK3SIGMAR1ENPP2IDH1TSHR
SCHEMBL19110857 0.88 KCNK3 (0.43) KCNK3SIGMAR1ENPP2IDH1TSHR
SCHEMBL17317759 0.87 ENPP2 (0.50) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17328158 0.87 ENPP2 (0.50) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317601 0.87 ENPP2 (0.50) 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 5 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
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 1825/4885SIGMAR1 2505/4885DPP4 2232/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 KCNK3 1825/4885SIGMAR1 2501/4885DPP4 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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