SCHEMBL26807637

SCHEMBL26807637

Cc1ccccc1Oc1cc(C2CCCC2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.40
▸ HTR7 P34969 10/20 0.40
▸ DRD2 P14416 4/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ NLRP3 Q96P20 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ HTR2A P28223 3/20 0.34
▸ SLC8A1 P32418 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL29566960 0.99 HTR1A (0.39) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL24309834 0.99 HTR1A (0.39) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL26807484 0.88 HTR1A (0.43) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL29566828 0.87 BRD4 (0.36) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL24310339 0.87 BRD4 (0.36) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL24309983 0.87 HTR1A (0.39) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL29566649 0.87 HTR1A (0.42) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL26807354 0.87 HTR1A (0.42) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL26810543 0.86 HTR1A (0.39) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL24310322 0.85 HTR1A (0.40) HTR1AHTR7DRD2HTR6TSHR

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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