SCHEMBL24310629

SCHEMBL24310629

CCc1c(Oc2cccc(N3CCN(C)CC3)c2F)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.36
▸ HTR7 P34969 9/20 0.36
▸ DRD2 P14416 4/20 0.33
▸ HTR6 P50406 4/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ EGFR P00533 6/20 0.32
▸ HTR2A P28223 3/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ MAP3K7 O43318 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL29567378 1.00 HTR1A (0.36) HTR1AHTR7DRD2HTR6BRD4
SCHEMBL24310771 0.92 HTR1A (0.36) HTR1AHTR7DRD2HTR6BRD4
SCHEMBL29567079 0.92 HTR1A (0.36) HTR1AHTR7DRD2HTR6BRD4
SCHEMBL29566934 0.88 HTR7 (0.39) HTR1AHTR7DRD2HTR6BRD4
SCHEMBL24310020 0.88 HTR7 (0.39) HTR1AHTR7DRD2HTR6BRD4
SCHEMBL24310358 0.86 BRD9 (0.36) HTR1AHTR7DRD2HTR6BRD4
SCHEMBL29566939 0.86 BRD9 (0.36) HTR1AHTR7DRD2HTR6BRD4
SCHEMBL24310478 0.85 BRD4 (0.32) BRD4BRPF1BRD9
SCHEMBL24310029 0.83 HTR6 (0.35) HTR1AHTR7DRD2HTR6BRD4
SCHEMBL29567367 0.83 HTR6 (0.35) HTR1AHTR7DRD2HTR6BRD4

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 3 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
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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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