SCHEMBL17328183

SCHEMBL17328183

N[C@H]1CC[C@H](CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 7/20 0.46
▸ ENPP2 Q13822 5/20 0.45
▸ DPP4 P27487 4/20 0.43
▸ DPP7 Q9UHL4 4/20 0.43
▸ DPP8 Q6V1X1 3/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 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
SCHEMBL19097252 1.00 KCNK3 (0.46) KCNK3ENPP2DPP4DPP7DPP8
SCHEMBL17328111 1.00 KCNK3 (0.46) KCNK3ENPP2DPP4DPP7DPP8
SCHEMBL17328080 0.92 ENPP2 (0.47) KCNK3ENPP2DPP4DPP7DPP8
SCHEMBL17328165 0.92 ENPP2 (0.47) KCNK3ENPP2DPP4DPP7DPP8
SCHEMBL19097241 0.92 ENPP2 (0.47) KCNK3ENPP2DPP4DPP7DPP8
SCHEMBL17328192 0.91 KCNK3 (0.45) KCNK3ENPP2DPP4DPP7DPP8
SCHEMBL17328136 0.91 KCNK3 (0.45) KCNK3ENPP2DPP4DPP7DPP8
SCHEMBL17317490 0.91 KCNK3 (0.45) KCNK3ENPP2DPP4DPP7DPP8
SCHEMBL17328158 0.90 ENPP2 (0.50) KCNK3ENPP2DPP4DPP7DPP8
SCHEMBL17317759 0.90 ENPP2 (0.50) KCNK3ENPP2DPP4DPP7DPP8

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

Send feedback