SCHEMBL23123703

SCHEMBL23123703

C[C@@H]1CN(C2CC2)C[C@@H](C)N1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ CHRM3 P20309 1/20 0.56
▸ PREP P48147 4/20 0.46
▸ HSD11B1 P28845 1/20 0.43
▸ NR1H2 P55055 1/20 0.37
▸ GPR119 Q8TDV5 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ JAK1 P23458 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL23123706 1.00 CHRM2 (0.56) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL24424565 0.92 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL24424564 0.92 CHRM2 (0.49) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL15725772 0.91 CHRM2 (0.46) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL15725759 0.87 CHRM2 (0.43) CHRM2CHRM1CHRM3PREPGPR119
SCHEMBL26361913 0.86 CHRM2 (0.64) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL29267025 0.85 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL29267029 0.85 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL30929225 0.85 CHRM2 (0.44) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL19115873 0.81 CHRM2 (0.42) CHRM2CHRM1CHRM3PREPHSD11B1

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
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 CHRM2 3991/4885CHRM1 4097/4885CHRM3 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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