SCHEMBL24310054

SCHEMBL24310054

CN1CCCC1c1cccc(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.64
CHRNB4 P30926 3/20 0.64
CHRNA3 P32297 3/20 0.64
CHRNA7 P36544 3/20 0.64
CHRNA4 P43681 3/20 0.64
ALDH1A1 P00352 2/20 0.54
CHRNA2 Q15822 2/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTR3E A5X5Y0 1/20 0.54
PSIP1 O75475 1/20 0.54
TRPA1 O75762 1/20 0.54
HTR3B O95264 1/20 0.54
CHRNA1 P02708 1/20 0.54
CHRNG P07510 1/20 0.54
MAPT P10636 1/20 0.54
CHRNB1 P11230 1/20 0.54
CYP2A6 P11509 1/20 0.54
PTGS1 P23219 1/20 0.54
CHRNA5 P30532 1/20 0.54

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
SCHEMBL24309500 0.95 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19275746 0.83 CHRNB2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13162103 0.81 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4292933 0.80 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17331994 0.80 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27112626 0.80 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13162079 0.80 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24775407 0.80 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21859861 0.80 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL29964318 0.80 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 6 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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO 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 CHRNB2 1756/4885CHRNB4 1401/4885CHRNA3 2425/4885

“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.