SCHEMBL26808400

SCHEMBL26808400

CC(C)c1ccccc1-c1cc(OCCCCO)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.44
▸ HTR7 P34969 9/20 0.44
▸ DRD2 P14416 4/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ TRPC5 Q9UL62 1/20 0.39
▸ HTR2A P28223 3/20 0.38
▸ PDK2 Q15119 2/20 0.34
▸ EGFR P00533 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ USP1 O94782 1/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYBB P04839 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
SCHEMBL26808420 0.97 HTR1A (0.44) HTR1AHTR7DRD2HTR6TRPC5
SCHEMBL26808408 0.95 HTR1A (0.45) HTR1AHTR7DRD2HTR6TRPC5
SCHEMBL26808397 0.91 HTR1A (0.44) HTR1AHTR7DRD2HTR6TRPC5
SCHEMBL24310670 0.89 HTR1A (0.43) HTR1AHTR7DRD2HTR6TRPC5
SCHEMBL29567319 0.89 HTR1A (0.43) HTR1AHTR7DRD2HTR6TRPC5
SCHEMBL26808386 0.88 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808412 0.88 HTR1A (0.42) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566529 0.87 HTR1A (0.41) HTR1AHTR7DRD2HTR6TRPC5
SCHEMBL26808381 0.87 HTR1A (0.41) HTR1AHTR7DRD2HTR6TRPC5
SCHEMBL26808415 0.87 SMN1; SMN2 (0.45) 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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