SCHEMBL24309884

SCHEMBL24309884

CCc1c(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)nc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ PAK1 Q13153 8/20 0.34
▸ MCOLN2 Q8IZK6 1/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ MCOLN1 Q9GZU1 1/20 0.34
▸ HTR6 P50406 3/20 0.34
▸ TNIK Q9UKE5 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ CFTR P13569 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ CREBBP Q92793 1/20 0.32
▸ HTR7 P34969 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
SCHEMBL29566593 1.00 DRD2 (0.36) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL24309431 0.93 HTR1A (0.37) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL29566820 0.93 HTR1A (0.37) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL24309904 0.92 HTR1A (0.33) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL29566917 0.92 HTR1A (0.38) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL24310061 0.92 HTR1A (0.38) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL29567289 0.92 PAK1 (0.36) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL24309950 0.92 PAK1 (0.36) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL24309999 0.91 EGFR (0.36) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL29567063 0.91 EGFR (0.36) DRD2DRD4DRD3HTR1AHTR2A

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 4505/4885DRD4 4670/4885DRD3 4541/4885

“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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