SCHEMBL24310075

SCHEMBL24310075

CN1CCCC1c1cccc(OCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.59
CHRNA7 P36544 2/20 0.59
CHRNA4 P43681 2/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
SPHK1 Q9NYA1 3/20 0.51
SPHK2 Q9NRA0 2/20 0.51
KDM2B Q8NHM5 1/20 0.50
KCNH2 Q12809 1/20 0.49
MCHR1 Q99705 1/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
MAOB P27338 1/20 0.49
CHRNA5 P30532 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48

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
SCHEMBL29567019 1.00 CHRNB2 (0.59) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL11382822 0.80 KDM2B (0.49) SPHK1SPHK2KDM2BKCNH2MCHR1
SCHEMBL13162095 0.79 CHRNB4 (0.62) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL10352626 0.78 DRD2 (0.71) KDM2B
SCHEMBL10352624 0.78 DRD2 (0.71) KDM2B
SCHEMBL6588487 0.77 SPHK1 (0.55) SPHK1SPHK2KCNH2GRIN1GRIN2B
SCHEMBL6583023 0.77 SPHK1 (0.58) SPHK1SPHK2KCNH2GRIN1GRIN2B
SCHEMBL17302553 0.77 CHRNB2 (0.60) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL5178425 0.77 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7319833 0.77 DRD2 (0.69) KDM2B

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 CHRNB2 1756/4885CHRNA7 2775/4885CHRNA4 2185/4885

“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.