SCHEMBL24310362

SCHEMBL24310362

CCc1c(Oc2ccccc2C(C)C)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 15/20 0.45
▸ HTR7 P34969 15/20 0.45
▸ DRD2 P14416 5/20 0.45
▸ HTR6 P50406 2/20 0.45
▸ HTR2A P28223 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31

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
SCHEMBL29566633 1.00 HTR1A (0.45) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24310357 0.91 HTR1A (0.41) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566856 0.91 HTR1A (0.41) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566476 0.89 HTR1A (0.46) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309852 0.89 HTR1A (0.46) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26811477 0.88 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566734 0.88 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26812611 0.88 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26811501 0.87 HTR1A (0.39) HTR1AHTR7KDM4EKDM5APIK3CD
SCHEMBL24309497 0.85 HTR1A (0.40) HTR1AHTR7KDM4EMAPK1KDM5A

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 3833/4885DRD2 4505/4885

“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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