SCHEMBL24310421

SCHEMBL24310421

CC(C)c1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(N3CCN(C)CC3)c(Cl)c2)c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ EGFR P00533 6/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ CECR2 Q9BXF3 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ DRD1 P21728 3/20 0.32
▸ TNK2 Q07912 2/20 0.32
▸ SLC8A1 P32418 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
SCHEMBL29567388 1.00 DRD2 (0.37) DRD2HTR6HTR1AHTR7EGFR
SCHEMBL29566602 0.93 EGFR (0.36) HTR6EGFRHRH4ALDH1A1TP53
SCHEMBL24310669 0.93 EGFR (0.36) HTR6EGFRHRH4ALDH1A1TP53
SCHEMBL24310689 0.89 HTR7 (0.39) DRD2HTR6HTR1AHTR7ALDH1A1
SCHEMBL26808691 0.85 HTR1A (0.42) DRD2HTR6HTR1AHTR7EGFR
SCHEMBL26808689 0.82 HTR1A (0.48) DRD2HTR6HTR1AHTR7
SCHEMBL24309887 0.81 RAD52 (0.39) DRD2HTR6HTR1AHTR7ALDH1A1
SCHEMBL29567333 0.81 RAD52 (0.39) DRD2HTR6HTR1AHTR7ALDH1A1
SCHEMBL29566727 0.80 HTR1A (0.44) DRD2HTR6HTR1AHTR7
SCHEMBL24309371 0.80 HTR1A (0.44) DRD2HTR6HTR1AHTR7

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 DRD2 4505/4885HTR6 2653/4885HTR1A 4018/4885

“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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