SCHEMBL26812611

SCHEMBL26812611

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccccc2C(C)C)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 16/20 0.44
▸ HTR7 P34969 16/20 0.44
▸ DRD2 P14416 7/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ HTR2A P28223 5/20 0.39
▸ P2RY1 P47900 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL29566734 1.00 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29567048 0.92 HTR1A (0.41) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24310223 0.92 HTR1A (0.41) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566687 0.88 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309645 0.88 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309852 0.88 HTR1A (0.46) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566476 0.88 HTR1A (0.46) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24310362 0.88 HTR1A (0.45) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29566633 0.88 HTR1A (0.45) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL29567094 0.87 HTR1A (0.38) HTR1AHTR7KDM4E

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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