SCHEMBL26809817

SCHEMBL26809817

Cc1cccc(C)c1-c1cc(Oc2ccc(Cl)c(N3CCN(C)CC3)c2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.37
▸ HTR1B P28222 2/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ HTR6 P50406 3/20 0.36
▸ BRD4 O60885 6/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 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
SCHEMBL29566991 1.00 HTR1D (0.37) HTR1DHTR1BDGAT2HTR6BRD4
SCHEMBL24309786 0.96 DGAT2 (0.40) DGAT2HTR6BRD4HRH4MAP4K1
SCHEMBL26808238 0.91 DGAT2 (0.36) DGAT2HTR6BRD4HTR1AHTR2A
SCHEMBL24310534 0.89 DGAT2 (0.35) DGAT2HTR6BRD4HTR1AHTR2A
SCHEMBL29567043 0.88 HTR6 (0.37) HTR1DHTR1BHTR6HTR1AHTR2A
SCHEMBL26837336 0.88 HTR6 (0.37) HTR1DHTR1BHTR6HTR1AHTR2A
SCHEMBL24309946 0.88 MAP4K1 (0.38) DGAT2HTR6BRD4HTR1AHTR2A
SCHEMBL24310014 0.88 HTR1A (0.42) HTR6BRD4HTR1AHTR2AHTR7
SCHEMBL29567227 0.88 MAP4K1 (0.43) DGAT2HTR6BRD4HTR1AHTR2A
SCHEMBL24310343 0.88 MAP4K1 (0.43) DGAT2HTR6BRD4HTR1AHTR2A

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 HTR1D 4055/4885HTR1B 3417/4885DGAT2 688/4885

“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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