SCHEMBL24309466

SCHEMBL24309466

Cc1ccccc1Oc1cc(C2(C)C(C)(C)C2(C)C)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.38
▸ HTR7 P34969 5/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DRD2 P14416 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ KDR P35968 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
SCHEMBL26810510 0.88 HTR1A (0.36) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL24309722 0.86 HTR1A (0.38) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL29566520 0.86 HTR1A (0.38) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL24310599 0.86 TSHR (0.51) TSHRSMN1; SMN2SLC22A12THRBGAA
SCHEMBL24309983 0.84 HTR1A (0.39) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL26810543 0.83 HTR1A (0.39) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL29566619 0.83 HTR1A (0.43) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL29567022 0.83 BRD4 (0.41) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL24309574 0.83 BRD4 (0.41) HTR1AHTR7TSHRSMN1; SMN2DRD2
SCHEMBL24309726 0.83 HTR1A (0.43) HTR1AHTR7TSHRSMN1; SMN2DRD2

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 5 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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 3833/4885TSHR 1755/4885

“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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