SCHEMBL23123738

SCHEMBL23123738

CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2)CC1(C)C.CC1(C)CC(c2ccccc2)CCN1C(=O)NCCCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.40
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ DRD2 P14416 4/20 0.38
▸ ASAH1 Q13510 8/20 0.38
▸ CHRM4 P08173 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ EPHX1 P07099 1/20 0.35

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
SCHEMBL23123919 0.84 KEAP1 (0.35) EPHX2KEAP1NFE2L2ASAH1SIGMAR1
SCHEMBL23124056 0.83 EPHX2 (0.52) EPHX2ASAH1SIGMAR1NAMPTEPHX1
SCHEMBL23123389 0.80 EPHX2 (0.44) EPHX2KEAP1NFE2L2ASAH1SIGMAR1
SCHEMBL23123969 0.78 KEAP1 (0.43) EPHX2KEAP1NFE2L2ASAH1SIGMAR1
SCHEMBL23123698 0.78 KEAP1 (0.43) EPHX2KEAP1NFE2L2ASAH1SIGMAR1
SCHEMBL23124164 0.78 ASAH1 (0.44) EPHX2KEAP1NFE2L2ASAH1SIGMAR1
SCHEMBL23124025 0.78 EPHX2 (0.47) EPHX2KEAP1NFE2L2ASAH1SIGMAR1
SCHEMBL24700248 0.77 NR1H2 (0.43) DRD2
SCHEMBL24700142 0.77 NAMPT (0.45) NAMPT
Hydrochloric Acid SCHEMBL29795146 0.76 KEAP1 (0.41) EPHX2KEAP1NFE2L2DRD2ASAH1

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.

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