SCHEMBL17317896

SCHEMBL17317896

O=C(O)C1CCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccncc4)c3C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.48
▸ KCNK3 O14649 2/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ CREBBP Q92793 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
SCHEMBL17328071 1.00 ENPP2 (0.48) ENPP2KCNK3PTGER4POLBMAPT
SCHEMBL17317466 0.93 ENPP2 (0.46) ENPP2KCNK3PTGER4
SCHEMBL17328096 0.93 ENPP2 (0.51) ENPP2KCNK3POLB
SCHEMBL17328090 0.93 ENPP2 (0.51) ENPP2KCNK3POLB
SCHEMBL17317567 0.93 ENPP2 (0.51) ENPP2KCNK3POLB
SCHEMBL17317934 0.92 ENPP2 (0.51) ENPP2KCNK3PTGER4MAPTDPP4
SCHEMBL17328206 0.92 ENPP2 (0.51) ENPP2KCNK3PTGER4MAPTDPP4
SCHEMBL17317568 0.92 ENPP2 (0.51) ENPP2KCNK3PTGER4MAPTDPP4
SCHEMBL17317601 0.91 ENPP2 (0.50) ENPP2KCNK3DPP4DPP8DPP9
SCHEMBL17328158 0.91 ENPP2 (0.50) ENPP2KCNK3DPP4DPP8DPP9

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
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 ENPP2 1/4885KCNK3 1825/4885PTGER4 1257/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 ENPP2 1/4885KCNK3 1825/4885PTGER4 1254/4885

“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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