SCHEMBL26806614

SCHEMBL26806614

CC(C)c1ccccc1-c1cc(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.36
▸ HTR7 P34969 5/20 0.36
▸ HTR1A P08908 4/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ HTR2C P28335 3/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ DRD2 P14416 4/20 0.35
▸ APAF1 O14727 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ DRD1 P21728 2/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29566615 1.00 HTR6 (0.36) HTR6HTR7HTR1AHTR2AHTR2C
SCHEMBL24309591 0.91 HTR6 (0.37) HTR6HTR7HTR1AHTR2AHTR2C
SCHEMBL26806704 0.89 SCN9A (0.36) HTR6HTR7HTR1AHTR2AHTR2C
SCHEMBL29567213 0.88 DRD2 (0.41) HTR6HTR7HTR1AHTR2AHTR2C
SCHEMBL29567849 0.88 HTR6 (0.39) HTR6HTR7HTR1AHTR2AHTR2C
SCHEMBL26806762 0.88 HTR6 (0.38) HTR6HTR7HTR1AHTR2AHTR2C
SCHEMBL29566903 0.88 HTR1A (0.39) HTR6HTR7HTR1AHTR2AHTR2C
SCHEMBL24309465 0.88 HTR6 (0.39) HTR6HTR7HTR1AHTR2AHTR2C
SCHEMBL24310456 0.88 HTR1A (0.39) HTR6HTR7HTR1AHTR2AHTR2C
SCHEMBL26806712 0.88 APAF1 (0.41) HTR6HTR7HTR1AHTR2AHTR2C

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 HTR6 2653/4885HTR7 3833/4885HTR1A 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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