SCHEMBL17317693

SCHEMBL17317693

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 8/20 0.42
▸ DPP4 P27487 3/20 0.40
▸ DPP8 Q6V1X1 3/20 0.40
▸ DPP7 Q9UHL4 3/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ PKM P14618 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ GRIA2 P42262 2/20 0.36
▸ ENPP2 Q13822 1/20 0.35

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
SCHEMBL19110811 0.90 KCNK3 (0.41) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317859 0.88 KCNK3 (0.44) KCNK3DPP4DPP8DPP7DPP9
Trifluoroacetic Acid SCHEMBL17317822 0.86 KCNK3 (0.42) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17328189 0.84 KCNK3 (0.41) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317778 0.82 KCNK3 (0.44) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317858 0.81 KCNK3 (0.50) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL19110840 0.80 KCNK3 (0.45) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317605 0.78 SMN1; SMN2 (0.45) KCNK3DPP4DPP8DPP7DPP9
SCHEMBL17317809 0.78 MEN1 (0.50) GAATSHRENPP2
SCHEMBL17317595 0.78 KCNK3 (0.52) 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 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 KCNK3 1825/4885DPP4 2232/4885DPP8 2257/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 KCNK3 1825/4885DPP4 2235/4885DPP8 2258/4885

“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