SCHEMBL23123489

SCHEMBL23123489

CC(C)(C)OC(=O)N1C2CCC1CC(N1CCCCC1)C2.CCCCCNC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CCCCC1)C2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 8/20 0.45
▸ CHRM2 P08172 2/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ PREP P48147 2/20 0.42
▸ NAAA Q02083 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRM5 P08912 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ EPHX1 P07099 6/20 0.36
▸ EPHX2 P34913 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
SCHEMBL23123303 0.89 CHRM1 (0.44) CHRM1NAAAGAAEPHX1EPHX2
SCHEMBL23123302 0.89 CHRM1 (0.44) CHRM1NAAAGAAEPHX1EPHX2
Hydrochloric Acid SCHEMBL23123833 0.86 CHRM1 (0.39) CHRM1CHRM2CHRM3PREPNAAA
SCHEMBL24700254 0.82 CHRM1 (0.64) CHRM1CHRM2CHRM3PREPMEN1
SCHEMBL28564603 0.81 CHRM1 (0.66) CHRM1CHRM2CHRM3PREPCHRM5
SCHEMBL28564604 0.81 CHRM1 (0.66) CHRM1CHRM2CHRM3PREPCHRM5
SCHEMBL21739046 0.81 CHRM1 (0.66) CHRM1CHRM2CHRM3PREPCHRM5
SCHEMBL29795100 0.77 CHRM1 (0.39) CHRM1CHRM2CHRM3PREPNAAA
SCHEMBL24700461 0.77 CHRM1 (0.42) CHRM1NAAAGAAEPHX1EPHX2
Hydrochloric Acid SCHEMBL23123841 0.76 CHRM1 (0.41) CHRM1NAAAGAAEPHX1EPHX2

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 CHRM1 4097/4885CHRM2 3991/4885CHRM3 4160/4885

“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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