SCHEMBL29795151

SCHEMBL29795151

CC(C)[C@@H]1CN(C2CC2)CCN1C(=O)NCCCCc1ccccc1.CC(C)[C@@H]1CN(C2CC2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.44
▸ DRD2 P14416 2/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ FKBP1A P62942 2/20 0.41
▸ NR1H2 P55055 4/20 0.41
▸ NR1H3 Q13133 4/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ ASAH1 Q13510 5/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ ABCB1 P08183 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
SCHEMBL23123300 0.91 EPHX2 (0.49) EPHX2DRD2DRD3FKBP1AASAH1
SCHEMBL23123708 0.91 EPHX2 (0.49) EPHX2DRD2DRD3FKBP1AASAH1
SCHEMBL24700281 0.91 EPHX2 (0.49) EPHX2DRD2DRD3FKBP1AASAH1
SCHEMBL29795145 0.85 NR1H3 (0.39) DRD2DRD3NR1H2NR1H3KEAP1
SCHEMBL23123837 0.78 EPHX2 (0.47) EPHX2FKBP1AKEAP1NFE2L2ASAH1
SCHEMBL24700182 0.78 NR1H3 (0.49) NR1H2NR1H3
SCHEMBL24700744 0.78 NR1H3 (0.49) NR1H2NR1H3
SCHEMBL24700183 0.78 NR1H3 (0.49) NR1H2NR1H3
SCHEMBL23123342 0.76 KEAP1 (0.44) EPHX2FKBP1AKEAP1NFE2L2ASAH1
SCHEMBL23123818 0.75 IDH1 (0.43) EPHX2

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 2 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

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 787/4885DRD2 2779/4885DRD3 3760/4885

“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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