SCHEMBL24310074

SCHEMBL24310074

c1ccc(COc2cccc(C3=NCCC3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 8/20 0.52
CHRNA3 P32297 8/20 0.52
CHRNA7 P36544 2/20 0.52
MAOB P27338 3/20 0.48
BRD4 O60885 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
BCHE P06276 1/20 0.46
HPD P32754 1/20 0.45

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
SCHEMBL1357487 0.81 CHRNB4 (0.56) CHRNB4CHRNA3CHRNA7MAOB
SCHEMBL379281 0.78 MAOB (0.67) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL2809629 0.78 CHRNB4 (0.52) CHRNB4CHRNA3CHRNA7
SCHEMBL2137838 0.77 MRGPRX4 (0.69) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL2806024 0.76 CHRNB4 (0.57) CHRNB4CHRNA3CHRNA7MAOB
SCHEMBL5266330 0.73 MAOB (0.49) MAOBBRD4MRGPRX4CYP4F2CYP4A11
SCHEMBL30317738 0.73 MAOB (0.49) MAOBBRD4MRGPRX4CYP4F2CYP4A11
SCHEMBL3540686 0.73 MAOB (0.46) MAOBBRD4MRGPRX4CYP4F2CYP4A11
SCHEMBL2810108 0.73 HRH3 (0.60)
SCHEMBL1268719 0.73 MAOB (0.81) MAOBCYP4F2CYP4A11BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CHRNB4 1401/4885CHRNA3 2425/4885CHRNA7 2775/4885

“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.