SCHEMBL26806685

SCHEMBL26806685

CC(C)c1ccccc1-c1cc(Oc2ccc(Cl)c(C3CCN(C)CC3)c2)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.34
▸ HTR7 P34969 7/20 0.34
▸ HTR6 P50406 4/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ CDK2 P24941 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ SCN9A Q15858 3/20 0.32
▸ USP1 O94782 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ USP8 P40818 1/20 0.32
▸ OTUB1 Q96FW1 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ EIF2AK3 Q9NZJ5 1/20 0.32
▸ INSR P06213 2/20 0.31
▸ ALK Q9UM73 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ HTR2C P28335 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
SCHEMBL29567147 1.00 HTR1A (0.34) HTR1AHTR7HTR6DRD2CDK2
SCHEMBL29567015 1.00 HTR1A (0.34) HTR1AHTR7HTR6DRD2CDK2
SCHEMBL29566737 0.89 HTR1A (0.35) HTR1AHTR7HTR6DRD2CDK2
SCHEMBL24309248 0.89 HTR1A (0.35) HTR1AHTR7HTR6DRD2CDK2
SCHEMBL29566589 0.89 SCN9A (0.37) HTR1AHTR7HTR6DRD2CDK2
SCHEMBL24309259 0.88 HTR1A (0.38) HTR1AHTR7HTR6DRD2CDK2
SCHEMBL29566441 0.88 HTR1A (0.38) HTR1AHTR7HTR6DRD2CDK2
SCHEMBL24309747 0.87 HTR1A (0.37) HTR1AHTR7HTR6DRD2CDK2
SCHEMBL29567007 0.87 HTR1A (0.37) HTR1AHTR7HTR6DRD2CDK2
SCHEMBL29566631 0.87 EGFR (0.38) HTR1AHTR7HTR6DRD2SCN9A

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 3833/4885HTR6 2653/4885

“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.

Send feedback