SCHEMBL24310782

SCHEMBL24310782

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cccc(C3CCCN(C)C3)c2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.37
▸ DRD3 P35462 5/20 0.37
▸ DRD1 P21728 3/20 0.37
▸ DRD4 P21917 3/20 0.37
▸ DRD5 P21918 3/20 0.37
▸ HTR1A P08908 4/20 0.33
▸ HTR7 P34969 4/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ TNK2 Q07912 1/20 0.32
▸ SLC8A1 P32418 1/20 0.32

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
SCHEMBL29566839 1.00 DRD2 (0.37) DRD2DRD3DRD1DRD4DRD5
SCHEMBL24310165 0.93 GHSR (0.34) DRD2DRD3DRD1DRD4DRD5
SCHEMBL29567193 0.93 GHSR (0.34) DRD2DRD3DRD1DRD4DRD5
SCHEMBL29567070 0.92 SCN9A (0.40) HTR1AHTR7SCN9ASLC8A1
SCHEMBL24310783 0.92 SCN9A (0.40) HTR1AHTR7SCN9ASLC8A1
SCHEMBL24310056 0.90 HTR1A (0.34) DRD2DRD3DRD1DRD4DRD5
SCHEMBL29566725 0.90 HTR1A (0.34) DRD2DRD3DRD1DRD4DRD5
SCHEMBL24309499 0.88 HTR1A (0.34) HTR1AHTR7TNK2SLC8A1
SCHEMBL29566422 0.88 HTR1A (0.34) HTR1AHTR7TNK2SLC8A1
SCHEMBL24310485 0.86 DRD2 (0.33) DRD2DRD3DRD1DRD4DRD5

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 DRD2 4505/4885DRD3 4541/4885DRD1 4701/4885

“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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