SCHEMBL24310339

SCHEMBL24310339

Cc1ccccc1Oc1cc(C2CCCCC2(C)C)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.36
▸ HTR1A P08908 8/20 0.36
▸ HTR7 P34969 8/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PCK1 P35558 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ SLC8A1 P32418 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ PARG Q86W56 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
SCHEMBL29566828 1.00 BRD4 (0.36) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL26810543 0.90 HTR1A (0.39) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL26807481 0.89 HTR1A (0.39) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL26807604 0.89 TSHR (0.43) HTR1AHTR7HTR6TSHRSMN1; SMN2
SCHEMBL26807637 0.87 HTR1A (0.40) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL29566960 0.86 HTR1A (0.39) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL24309834 0.86 HTR1A (0.39) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL24309983 0.85 HTR1A (0.39) BRD4HTR1AHTR7DRD2HTR6
SCHEMBL26807620 0.84 HTR1A (0.35) HTR1AHTR7SLC8A1
SCHEMBL26807611 0.84 CDK2 (0.34) HTR1AHTR7NLRP3PARG

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 BRD4 1716/4885HTR1A 4018/4885HTR7 3833/4885

“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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