SCHEMBL26808366

SCHEMBL26808366

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.37
▸ HTR1A P08908 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ USP1 O94782 1/20 0.35
▸ ACACB O00763 2/20 0.35
▸ RORC P51449 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.34
▸ BAZ2B Q9UIF8 1/20 0.34
▸ BAZ2A Q9UIF9 1/20 0.34
▸ ACACA Q13085 1/20 0.33
▸ PARG Q86W56 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ GNRHR P30968 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ IGF1R P08069 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
SCHEMBL26808368 0.86 HTR1A (0.39) NAMPTHTR1ADRD2HTR7HTR6
SCHEMBL26808367 0.85 HTR1A (0.40) NAMPTHTR1ADRD2HTR7HTR6
SCHEMBL24309659 0.85 HTR1A (0.43) HTR1ADRD2HTR7HTR6
SCHEMBL29567073 0.85 HTR1A (0.43) HTR1ADRD2HTR7HTR6
SCHEMBL26808373 0.81 HTR1A (0.41) NAMPTHTR1ADRD2HTR7HTR6
SCHEMBL26808415 0.80 SMN1; SMN2 (0.45) HTR1ADRD2HTR7HTR6
SCHEMBL26808371 0.80 MAPT (0.41) NAMPTHTR1ADRD2HTR7HTR6
SCHEMBL26808355 0.79 HTR6 (0.39) HTR1ADRD2HTR7HTR6
SCHEMBL29566529 0.79 HTR1A (0.41) HTR1ADRD2HTR7HTR6USP1
SCHEMBL26808381 0.79 HTR1A (0.41) HTR1ADRD2HTR7HTR6USP1

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 NAMPT 1836/4885HTR1A 4018/4885DRD2 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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