SCHEMBL26808693

SCHEMBL26808693

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccccc2C(C)(C)C)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 11/20 0.44
▸ HTR7 P34969 11/20 0.44
▸ DRD2 P14416 6/20 0.39
▸ HTR2A P28223 5/20 0.39
▸ HTR6 P50406 1/20 0.37
▸ PIK3CG P48736 4/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ PIK3CD O00329 3/20 0.33
▸ PIK3CB P42338 3/20 0.33
▸ P2RY1 P47900 3/20 0.32
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MTOR P42345 2/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ PIK3C3 Q8NEB9 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
SCHEMBL26808688 0.92 HTR1A (0.44) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL29566724 0.92 HTR1A (0.41) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL24309376 0.92 HTR1A (0.41) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL26808695 0.88 HTR1A (0.39) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL29566707 0.88 HTR1A (0.39) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL24309798 0.88 HTR1A (0.39) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL26808700 0.87 HTR1A (0.38) HTR1AHTR7DRD2HTR6PIK3CG
SCHEMBL29566727 0.86 HTR1A (0.44) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL24309371 0.86 HTR1A (0.44) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL29566734 0.84 HTR1A (0.44) HTR1AHTR7DRD2HTR2AHTR6

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 2 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

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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