SCHEMBL26808367

SCHEMBL26808367

CC(C)c1ccccc1-c1cc(Oc2ccc(CN)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.40
▸ HTR7 P34969 7/20 0.40
▸ DRD2 P14416 3/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ HTR2A P28223 2/20 0.34
▸ PTPN11 Q06124 1/20 0.33
▸ USP1 O94782 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ F2 P00734 2/20 0.32
▸ SLC8A1 P32418 1/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ KDR P35968 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ SLC6A9 P48067 1/20 0.31
▸ MET P08581 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
SCHEMBL29567073 0.91 HTR1A (0.43) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309659 0.91 HTR1A (0.43) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808368 0.90 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808373 0.87 HTR1A (0.41) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808415 0.86 SMN1; SMN2 (0.45) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808371 0.85 MAPT (0.41) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808366 0.85 NAMPT (0.37) HTR1AHTR7DRD2HTR6USP1
SCHEMBL26808355 0.85 HTR6 (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808374 0.83 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808397 0.83 HTR1A (0.44) 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 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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