Sugi Predict

Sugi Predict / Compounds / SCHEMBL1949667

SCHEMBL1949667

SCHEMBL1949667

CC(=O)N1CCC[C@H](C(C(=O)O)C(=O)O)[C@H]1C(C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 10/20 0.39
▸ CHRM4 P08173 10/20 0.39
▸ CHRM5 P08912 10/20 0.39
▸ CHRM1 P11229 10/20 0.39
▸ CHRM3 P20309 10/20 0.39
▸ PREP P48147 1/20 0.35
▸ FAP Q12884 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
SCHEMBL28446519 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1725742 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15423480 0.75 FAP (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25773837 0.68 FAP (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27586900 0.68 CES2 (0.35) —
N-Acetylproline SCHEMBL358379 0.66 ACE (0.54) —
N-Acetylproline SCHEMBL428477 0.66 ACE (0.54) —
N-Acetylproline SCHEMBL428476 0.66 ACE (0.54) —
SCHEMBL13190988 0.66 RAB9A (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3436833 0.65 — —

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110358751-B Recombinant lipase mutant, encoding gene, recombinant engineering bacterium and application 浙江工业大学 2021-07-02 — — CN claimed
CN-109182298-B Recombinant lipase mutant, engineering bacterium and application 浙江工业大学 2021-05-11 — — CN claimed
CN-111518789-A Recombinant lipase mutant, gene, vector and application thereof 浙江工业大学 2020-08-11 — — CN claimed
CN-111518789-B Recombinant lipase mutant, gene, vector and application thereof 浙江工业大学 2022-03-18 — — CN disclosed
CN-110358751-B Recombinant lipase mutant, encoding gene, recombinant engineering bacterium and application 浙江工业大学 2021-07-02 — — CN disclosed
CN-109182298-B Recombinant lipase mutant, engineering bacterium and application 浙江工业大学 2021-05-11 — — CN disclosed
CN-109182298-B Recombinant lipase mutant, engineering bacterium and application 浙江工业大学 2021-05-11 — — CN disclosed
CN-111518789-A Recombinant lipase mutant, gene, vector and application thereof 浙江工业大学 2020-08-11 — — CN disclosed
EP-2403831-B1 SYNTHESIS OF (4aS,7aS)-OCTAHYDRO-1H-PYRROLOÝ3,4-b¨PYRIDINE ITALIANA SINT SPA (IT) 2015-05-20 — — EP disclosed
US-8680276-B2 Synthesis of (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine F.I.S. FABBRICA ITALIANA SINTETICI S.P.A (IT) 2014-03-25 — — US disclosed
US-20110137036-A1 SYNTHESIS OF (4aS,7aS)-OCTAHYDRO-1H-PYRROLO[3,4-b]PYRIDINE F.I.S. FABBRICA ITALIANA SINTETICI S.P.A (IT) 2011-06-09 — — US 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-20110137036-A1 SYNTHESIS OF (4aS,7aS)-OCTAHYDRO-1H-PYRROLO[3,4-b]PYRIDINE PDXK, OXA1L, PDK4 CHRM2 2774/4885CHRM4 1456/4885CHRM5 1276/4885

“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.