SCHEMBL23124251

SCHEMBL23124251

CC(C)(C)OC(=O)N1CC(c2ccccc2)C(=O)CC1(C)C.CCCCCNC(=O)N1CC(c2ccccc2)C(N2CCCCC2)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.33
▸ P2RY12 Q9H244 2/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ CNR1 P21554 8/20 0.32
▸ CNR2 P34972 8/20 0.32
▸ TLR2 O60603 3/20 0.32
▸ TLR1 Q15399 3/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ ABCB1 P08183 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
SCHEMBL23123701 0.85 NAMPT (0.40) TLR2TLR1
SCHEMBL23123292 0.81 SPHK1 (0.30) —
SCHEMBL24700457 0.81 RORC (0.42) ABCB1
SCHEMBL23123605 0.75 KEAP1 (0.39) KEAP1NFE2L2EPHX2ITGB3ITGA2B
SCHEMBL24700470 0.75 RORC (0.44) ABCB1
SCHEMBL23123350 0.72 MEN1 (0.40) CNR1CNR2
SCHEMBL23123524 0.72 EPHX2 (0.48) EPHX2
SCHEMBL23123278 0.71 FPR3 (0.37) EPHX2
SCHEMBL24700458 0.69 STS (0.39) —
SCHEMBL23123214 0.68 SIGMAR1 (0.41) —

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 REN 3248/4885P2RY12 261/4885KEAP1 481/4885

“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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