SCHEMBL19110804

SCHEMBL19110804

COC(=O)C1CCN(CC(=O)N2CCc3c(C)nn(Cc4ccc(F)cc4)c3C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.42
▸ KCNK3 O14649 7/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CACNA1G O43497 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL19110810 0.95 ENPP2 (0.40) ENPP2KCNK3ALDH1A1IDO1TDO2
SCHEMBL19110822 0.90 ENPP2 (0.49) ENPP2KCNK3LMNASIGMAR1
SCHEMBL19110820 0.90 SMN1; SMN2 (0.47) ALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL17317608 0.89 ENPP2 (0.44) ENPP2KCNK3TP53SMN1; SMN2CACNA1G
SCHEMBL19110816 0.88 KCNK3 (0.44) ENPP2KCNK3ALDH1A1LMNAKDM4E
SCHEMBL19110843 0.88 ENPP2 (0.48) ENPP2KCNK3LMNASMN1; SMN2SIGMAR1
SCHEMBL19110626 0.88 KCNK3 (0.41) KCNK3ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL19110835 0.87 ENPP2 (0.48) ENPP2KCNK3LMNA
SCHEMBL19110817 0.86 KCNK3 (0.44) ENPP2KCNK3LMNASIGMAR1
SCHEMBL19110839 0.85 KCNK3 (0.45) ENPP2KCNK3ALDH1A1KDM4EPTGDR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — US 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 (1 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 1825/4885ALDH1A1 4081/4885

“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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