SCHEMBL22016513

SCHEMBL22016513

CC(C)N[C@@H]1CCC(F)(F)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
IDH1 O75874 8/20 0.33
IDH2 P48735 3/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL22017351 1.00 EPHX2 (0.36) EPHX2IDH1IDH2DRD2DRD3
SCHEMBL22031954 1.00 EPHX2 (0.36) EPHX2IDH1IDH2DRD2DRD3
SCHEMBL104840 0.89 MAPK8 (0.31) DRD2DRD3
SCHEMBL25589867 0.87 GAA (0.32)
SCHEMBL104831 0.86 EPHX2 (0.42) EPHX2IDH1IDH2DRD2DRD3
SCHEMBL19687394 0.84 IDH1 (0.38) EPHX2IDH1IDH2
SCHEMBL23765209 0.83 EPHX2 (0.31) EPHX2
SCHEMBL25589542 0.83 EPHX2 (0.31) EPHX2
SCHEMBL9964559 0.80 APLNR (0.31) DRD2DRD3
SCHEMBL19687393 0.79 EPHX2 (0.33) EPHX2IDH1

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-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (5 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 EPHX2 2793/4885IDH1 4043/4885IDH2 4746/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 EPHX2 2865/4885IDH1 3807/4885IDH2 4717/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 EPHX2 3262/4885IDH1 726/4885IDH2 1105/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 EPHX2 3262/4885IDH1 726/4885IDH2 1105/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 EPHX2 3262/4885IDH1 726/4885IDH2 1105/4885

“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.