SCHEMBL23123518

SCHEMBL23123518

CC1C(c2ccccc2)CCCN1C(=O)NCCCCc1ccccc1.CC1N(C(=O)OC(C)(C)C)CCCC1(O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.49
▸ FKBP1A P62942 6/20 0.41
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ ASAH1 Q13510 8/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL23124099 0.83 EPHX2 (0.67) EPHX2FKBP1AASAH1HRH3
SCHEMBL24700250 0.78 KDM1A (0.41) —
SCHEMBL23124023 0.77 EPHX2 (0.52) EPHX2FKBP1AASAH1KEAP1NFE2L2
SCHEMBL24700138 0.74 RIPK1 (0.52) —
SCHEMBL23123285 0.73 EPHX2 (0.43) EPHX2FKBP1AASAH1KEAP1NFE2L2
SCHEMBL23123837 0.70 EPHX2 (0.47) EPHX2FKBP1AASAH1KEAP1NFE2L2
SCHEMBL10709019 0.70 FKBP1A (0.68) EPHX2FKBP1A
SCHEMBL23123263 0.69 EPHX2 (0.46) EPHX2FKBP1AASAH1KEAP1NFE2L2
SCHEMBL23124031 0.69 EPHX2 (0.59) EPHX2FKBP1AASAH1HRH3
SCHEMBL17117332 0.68 EPHX2 (1.00) EPHX2FKBP1AASAH1HRH3

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 787/4885FKBP1A 1624/4885TLR2 1022/4885

“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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