SCHEMBL23123285

SCHEMBL23123285

CC1CCC(O)(c2ccccc2)CN1C(=O)OC(C)(C)C.CC1CCC(c2ccccc2)CN1C(=O)NCCCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.43
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ ASAH1 Q13510 13/20 0.38
▸ FKBP1A P62942 2/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ PTPN1 P18031 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
SCHEMBL23123276 0.83 EPHX2 (0.60) EPHX2ASAH1FKBP1ANAMPT
SCHEMBL24700246 0.80 RORC (0.42) —
SCHEMBL23123837 0.75 EPHX2 (0.47) EPHX2KEAP1NFE2L2ASAH1FKBP1A
SCHEMBL24700143 0.73 HCRTR2 (0.47) NAMPT
SCHEMBL23123738 0.73 EPHX2 (0.40) EPHX2KEAP1NFE2L2ASAH1NAMPT
SCHEMBL23123518 0.73 EPHX2 (0.49) EPHX2KEAP1NFE2L2ASAH1FKBP1A
SCHEMBL17294892 0.70 RORC (0.40) —
SCHEMBL23123263 0.69 EPHX2 (0.46) EPHX2KEAP1NFE2L2ASAH1FKBP1A
SCHEMBL23124023 0.69 EPHX2 (0.52) EPHX2KEAP1NFE2L2ASAH1FKBP1A
SCHEMBL29795151 0.68 EPHX2 (0.44) EPHX2KEAP1NFE2L2ASAH1FKBP1A

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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
EP-4031540-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 — — 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 (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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 EPHX2 787/4885KEAP1 481/4885NFE2L2 458/4885

“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.

Send feedback