SCHEMBL17317809

SCHEMBL17317809

CCOC(=O)C1CCCN(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ATM Q13315 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42

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
SCHEMBL17317605 0.94 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19110808 0.91 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17317758 0.89 ENPP2 (0.52) TSHRNPSR1POLBENPP2
SCHEMBL17317792 0.88 KCNK3 (0.42) SMN1; SMN2TSHRGAAENPP2
SCHEMBL17317531 0.87 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17317778 0.85 KCNK3 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17317563 0.85 ENPP2 (0.47) ENPP2
SCHEMBL19110820 0.84 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17317526 0.84 ENPP2 (0.50) TSHRNPSR1ENPP2
SCHEMBL17317604 0.84 KCNK3 (0.44) TSHRNPSR1ENPP2

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 MEN1 1850/4885KMT2A 1485/4885SMN1; SMN2 119/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 MEN1 1850/4885KMT2A 1483/4885SMN1; SMN2 119/4885

“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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