SCHEMBL24310452

SCHEMBL24310452

Cc1ccccc1Oc1nc(NS(=O)(=O)c2cnn(C)c2)nc(-c2ccccc2CC(C)C)c1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 11/20 0.38
▸ HTR7 P34969 11/20 0.38
▸ DRD2 P14416 5/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ HTR2A P28223 4/20 0.33
▸ PCK1 P35558 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ CACNA1G O43497 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ CACNA1I Q9P0X4 1/20 0.30
▸ THRB P10828 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
SCHEMBL29566521 1.00 HTR1A (0.38) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309426 0.90 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29567023 0.86 HTR1A (0.35) HTR1AHTR7DRD2HTR6PCK1
SCHEMBL24310132 0.86 HTR1A (0.35) HTR1AHTR7DRD2HTR6PCK1
SCHEMBL29567792 0.85 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24310759 0.85 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566951 0.85 HTR1A (0.34) HTR1AHTR7DRD2HTR6PCK1
SCHEMBL24310440 0.85 HTR1A (0.34) HTR1AHTR7DRD2HTR6PCK1
SCHEMBL24310453 0.83 — —
SCHEMBL24309427 0.82 HTR1A (0.40) HTR1AHTR7DRD2HTR6HTR2A

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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