SCHEMBL23006367

SCHEMBL23006367

C=CC(N)CC[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
BACE1 P56817 2/20 0.30
CTSD P07339 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
SCHEMBL23006718 0.87 NR1H2 (0.34) NR1H2
SCHEMBL21244545 0.86 NR1H2 (0.39) NR1H2MEN1KMT2ADPP4CHRM2
SCHEMBL23005939 0.84 NR1H2 (0.37) NR1H2MEN1KMT2ADPP4CHRM2
SCHEMBL22982528 0.83 SLC6A2 (0.39) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL21244880 0.82 NR1H2 (0.40) NR1H2MEN1KMT2ACHRM2CHRM1
SCHEMBL21256234 0.82 NR1H2 (0.36) NR1H2DPP4CHRM2CHRM1CHRM3
SCHEMBL23006224 0.82 NR1H2 (0.36) NR1H2DPP4CHRM2CHRM1CHRM3
SCHEMBL21274915 0.82 NR1H2 (0.41) NR1H2MEN1KMT2ADPP4CHRM2
SCHEMBL21244558 0.82 NR1H2 (0.41) NR1H2MEN1KMT2ADPP4CHRM2
SCHEMBL23007123 0.81 NR1H2 (0.32) NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585628-B Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-03-26 CN disclosed
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-10-06 US disclosed
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP disclosed
CN-114585628-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2022-06-03 CN disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 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-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NR1H2 482/4885SLC6A2 3810/4885SLC6A4 3097/4885

“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.