SCHEMBL21244547

SCHEMBL21244547

C=CCC1CCC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ DDB1 Q16531 2/20 0.33
▸ CRBN Q96SW2 2/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ GPR119 Q8TDV5 4/20 0.32
▸ HPGD P15428 1/20 0.31
▸ BUB1 O43683 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ EPHX1 P07099 1/20 0.30

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
SCHEMBL21275019 1.00 CHRM2 (0.34) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL13606646 0.82 NR1H2 (0.41) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL19959327 0.82 NR1H2 (0.41) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL19637550 0.82 NR1H2 (0.41) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL21275009 0.81 CHRM2 (0.36) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL14239075 0.81 CHRM2 (0.36) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL3659522 0.80 CHRM2 (0.39) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL21244453 0.79 — —
SCHEMBL21274856 0.79 CHRM2 (0.35) CHRM2CHRM1CHRM3DDB1CRBN
SCHEMBL21244551 0.79 CHRM2 (0.35) CHRM2CHRM1CHRM3DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368189-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMA (US) 2024-11-07 — — US disclosed
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-09 — — US disclosed
CN-117285547-A Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation 弗特克斯药品有限公司 2023-12-26 — — CN disclosed
CN-112004817-B Macrocyclic compounds as modulators of CFTR, pharmaceutical compositions thereof, their use and methods of preparation 弗特克斯药品有限公司 2023-06-23 — — CN disclosed
EP-4198037-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-06-21 — — EP disclosed
EP-4198037-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-06-21 — — EP disclosed
EP-3752510-B1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMA (US) 2022-12-07 — — EP disclosed
US-20220106331-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED 2022-04-07 — — US disclosed
US-11066417-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-20 — — US disclosed
CN-112004817-A Macrocyclic compounds as modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions thereof, their use in the treatment of cystic fibrosis, and processes for their preparation 弗特克斯药品有限公司 2020-11-27 — — CN disclosed
WO-2019161078-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-22 — — WO disclosed
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-15 — — 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 (5 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-20240368189-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 CHRM2 328/4885CHRM1 1117/4885CHRM3 90/4885
US-20220106331-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 CHRM2 328/4885CHRM1 1117/4885CHRM3 90/4885
US-11066417-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 CHRM2 328/4885CHRM1 1117/4885CHRM3 90/4885
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 CHRM2 328/4885CHRM1 1117/4885CHRM3 90/4885
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 CHRM2 328/4885CHRM1 1117/4885CHRM3 90/4885

“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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