SCHEMBL29795145

SCHEMBL29795145

CC(C)[C@H]1CN(C2CC2)CCN1C(=O)OC(C)(C)C.CCCCCNC(=O)N1CCN(C2CC2)C[C@@H]1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 7/20 0.39
▸ NR1H2 P55055 6/20 0.39
▸ IDH1 O75874 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HDAC8 Q9BY41 3/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL23123818 0.89 IDH1 (0.43) IDH1
SCHEMBL24700753 0.89 IDH1 (0.43) IDH1
SCHEMBL29795151 0.85 EPHX2 (0.44) NR1H3NR1H2KEAP1NFE2L2DRD2
SCHEMBL24700744 0.84 NR1H3 (0.49) NR1H3NR1H2
SCHEMBL24700182 0.84 NR1H3 (0.49) NR1H3NR1H2
SCHEMBL24700183 0.84 NR1H3 (0.49) NR1H3NR1H2
SCHEMBL29795138 0.74 HDAC8 (0.37) MEN1KMT2AHDAC8KEAP1NFE2L2
SCHEMBL24700281 0.73 EPHX2 (0.49) KMT2ADRD2DRD3
SCHEMBL23123300 0.73 EPHX2 (0.49) KMT2ADRD2DRD3
SCHEMBL23123708 0.73 EPHX2 (0.49) KMT2ADRD2DRD3

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 NR1H3 449/4885NR1H2 445/4885IDH1 280/4885

“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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