SCHEMBL17317872

SCHEMBL17317872

O=C(O)CN1CCC(C(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 6/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTT P42858 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
SCHEMBL17317923 0.92 ALDH1A1 (0.41) KCNK3LMNATSHRNPSR1ALDH1A1
SCHEMBL17317563 0.88 ENPP2 (0.47) KCNK3LMNADPP4DPP8DPP9
SCHEMBL19110866 0.88 ALDH1A1 (0.41) KCNK3ALDH1A1KMT2AKDM4ETDP1
SCHEMBL17317949 0.86 KCNK3 (0.46) KCNK3LMNATSHRNPSR1DPP4
SCHEMBL17328180 0.86 KCNK3 (0.46) KCNK3LMNATSHRNPSR1DPP4
SCHEMBL17328179 0.86 KCNK3 (0.46) KCNK3LMNATSHRNPSR1DPP4
SCHEMBL17317562 0.86 ENPP2 (0.41) KCNK3KDM4ETDP1DPP4DPP8
SCHEMBL17317792 0.85 KCNK3 (0.42) KCNK3TSHRDPP4DPP8DPP9
SCHEMBL17317781 0.84 ENPP2 (0.52) KCNK3LMNATSHRNPSR1DPP4
SCHEMBL17317758 0.84 ENPP2 (0.52) KCNK3LMNATSHRNPSR1DPP4

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 1825/4885LMNA 2678/4885TSHR 767/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 KCNK3 1825/4885LMNA 2685/4885TSHR 767/4885

“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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