SCHEMBL29828802

SCHEMBL29828802

CCOC(=O)c1c(OC[C@H](N)Cc2ccccc2)cc(C)nc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.46
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 4/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL29096821 1.00 SCN4A (0.46) SCN4AOPRM1OPRK1L3MBTL1TDP1
SCHEMBL29096825 1.00 SCN4A (0.46) SCN4AOPRM1OPRK1L3MBTL1TDP1
SCHEMBL29829046 0.93 SCN4A (0.44) SCN4AOPRM1OPRK1L3MBTL1TDP1
SCHEMBL29828438 0.93 SCN4A (0.46) SCN4AOPRM1OPRK1L3MBTL1TDP1
SCHEMBL29096953 0.93 SCN4A (0.46) SCN4AOPRM1OPRK1L3MBTL1TDP1
SCHEMBL29096955 0.93 SCN4A (0.46) SCN4AOPRM1OPRK1L3MBTL1TDP1
SCHEMBL29829839 0.91 SCN4A (0.46) SCN4AL3MBTL1TDP1SMN1; SMN2ALDH1A1
SCHEMBL27129114 0.91 SCN4A (0.51) SCN4AOPRM1OPRK1TACR1
SCHEMBL27032707 0.91 SCN4A (0.51) SCN4AOPRM1OPRK1TACR1
SCHEMBL30639502 0.84 KMT2A (0.47) L3MBTL1TDP1SMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 SCN4A 424/4885OPRM1 944/4885OPRK1 724/4885

“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.