SCHEMBL18687399

SCHEMBL18687399

O=C(OCc1ccc(OC(F)(F)F)cc1)N1CC2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2C1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 17/20 0.77
▸ DGAT2 Q96PD7 1/20 0.77
▸ CA2 P00918 2/20 0.46
▸ ATXN2 Q99700 13/20 0.44
▸ MAPK8 P45983 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ ABAT P80404 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL21322972 1.00 ENPP2 (0.77) ENPP2DGAT2CA2ATXN2MAPK8
SCHEMBL16962686 1.00 ENPP2 (0.77) ENPP2DGAT2CA2ATXN2MAPK8
SCHEMBL16963535 1.00 ENPP2 (0.77) ENPP2DGAT2CA2ATXN2MAPK8
SCHEMBL16759782 0.95 ENPP2 (0.69) ENPP2DGAT2CA2ATXN2MAPK8
SCHEMBL16962381 0.94 ENPP2 (0.69) ENPP2DGAT2CA2ATXN2MAPK8
SCHEMBL16962382 0.94 ENPP2 (0.69) ENPP2DGAT2CA2ATXN2MAPK8
SCHEMBL16962380 0.94 ENPP2 (0.69) ENPP2DGAT2CA2ATXN2MAPK8
SCHEMBL21323076 0.92 ENPP2 (0.66) ENPP2DGAT2CA2ATXN2HTR2A
SCHEMBL16963831 0.92 ENPP2 (0.66) ENPP2DGAT2CA2ATXN2HTR2A
SCHEMBL21323293 0.91 ENPP2 (0.64) ENPP2DGAT2CA2ATXN2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787459-B2 Bicyclic compounds as ATX inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-09-29 — — US disclosed
US-20180208602-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-07-26 — — US disclosed
WO-2017050732-A1 BICYCLIC COMPOUNDS AS ATX INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-03-30 — — 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-20180208602-A1 NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS ATXN2, ATXN10, ATXN2L ENPP2 4/4885DGAT2 2907/4885CA2 3500/4885
US-10787459-B2 Bicyclic compounds as ATX inhibitors ATXN2, ATXN10, ATXN2L ENPP2 4/4885DGAT2 2291/4885CA2 3341/4885

“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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