SCHEMBL24309890

SCHEMBL24309890

CCc1c(Oc2ccc(C3CCN(C)CC3O)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.32
▸ HTR7 P34969 5/20 0.32
▸ ALK Q9UM73 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL29566792 1.00 HTR1A (0.32) HTR1AHTR7ALKDRD2HTR6
SCHEMBL24309714 0.90 JAK2 (0.37) ALK
SCHEMBL29566802 0.90 JAK2 (0.37) ALK
SCHEMBL29567020 0.89 HTR1A (0.34) HTR1AHTR7DRD2HTR6KCNH2
SCHEMBL24310616 0.89 HTR1A (0.34) HTR1AHTR7DRD2HTR6KCNH2
SCHEMBL24309889 0.89 JAK2 (0.32) HTR1AHTR7ALK
SCHEMBL29568076 0.89 JAK2 (0.32) HTR1AHTR7ALK
SCHEMBL24310605 0.84 NMT1 (0.35) HTR1AHTR7DRD2HTR6
SCHEMBL29566526 0.84 NMT1 (0.35) HTR1AHTR7DRD2HTR6
SCHEMBL24310341 0.83 SCN9A (0.38) HTR1AHTR7DRD2HTR6KCNH2

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 HTR1A 4018/4885HTR7 3833/4885ALK 2616/4885

“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.

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