SCHEMBL24309852

SCHEMBL24309852

COc1c(Oc2ccccc2C(C)C)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 12/20 0.46
▸ HTR7 P34969 12/20 0.46
▸ DRD2 P14416 4/20 0.46
▸ HTR6 P50406 2/20 0.46
▸ HTR2A P28223 3/20 0.40
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 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
SCHEMBL29566476 1.00 HTR1A (0.46) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309396 0.91 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29567189 0.91 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566633 0.89 HTR1A (0.45) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24310362 0.89 HTR1A (0.45) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566734 0.88 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26812611 0.88 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309384 0.87 HTR1A (0.39) HTR1AHTR7SMN1; SMN2TSHRKDM4E
SCHEMBL29566871 0.87 HTR1A (0.39) HTR1AHTR7SMN1; SMN2TSHRKDM4E
SCHEMBL24310674 0.85 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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