SCHEMBL26806490

SCHEMBL26806490

Cc1cccc(C)c1-c1cc(Oc2ccc(C3CCN(C)CC3)nc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.35
▸ HTR7 P34969 5/20 0.35
▸ SLC8A1 P32418 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ FLT4 P35916 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PCK1 P35558 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ TP53 P04637 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
SCHEMBL24310170 0.90 BRD4 (0.38) HTR1AHTR7SLC8A1GPR84MAP4K1
SCHEMBL26806489 0.88 CCNA2 (0.42) HTR1AHTR7MAP4K1DRD2HTR6
SCHEMBL24309447 0.88 SCN9A (0.43) HTR1AHTR7SLC8A1MAP4K1SCN9A
SCHEMBL24310034 0.87 HTR6 (0.37) HTR1AHTR7SLC8A1GPR84SCN9A
SCHEMBL26856630 0.86 BRD4 (0.38) HTR1AHTR7SLC8A1DRD2HTR6
SCHEMBL26814726 0.86 CCNA2 (0.40) HTR1AHTR7MAP4K1DRD2HTR6
SCHEMBL24309393 0.85 HTR1A (0.36) HTR1AHTR7SLC8A1MAP4K1SLC6A9
SCHEMBL29566346 0.85 HTR1A (0.36) HTR1AHTR7SLC8A1MAP4K1SLC6A9
SCHEMBL29566772 0.85 DGAT2 (0.38) HTR1AHTR7MAP4K1DRD2HTR6
SCHEMBL26806460 0.85 DGAT2 (0.38) HTR1AHTR7MAP4K1DRD2HTR6

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 3833/4885SLC8A1 201/4885

“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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