SCHEMBL5666761

SCHEMBL5666761

CCC(CC)Cc1c(OC)cccc1S(=O)(=O)N[C@@H]1c2cc(CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)ccc2OC(C)(C)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 6/20 0.49
▸ SIGMAR1 Q99720 7/20 0.46
▸ CCR8 P51685 1/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ MCHR1 Q99705 2/20 0.40

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
SCHEMBL4185562 0.81 KCNA5 (0.49) KCNA5SIGMAR1
SCHEMBL4194445 0.81 KCNA5 (0.49) KCNA5SIGMAR1
SCHEMBL4192201 0.77 SIGMAR1 (0.49) KCNA5SIGMAR1
SCHEMBL4186078 0.76 SIGMAR1 (0.48) KCNA5SIGMAR1MCHR1
SCHEMBL6500146 0.66 CCR8 (0.78) SIGMAR1CCR8DRD4DRD2MCHR1
SCHEMBL6507014 0.66 CCR8 (0.78) SIGMAR1CCR8DRD4DRD2MCHR1
SCHEMBL6503375 0.66 CCR8 (0.78) SIGMAR1CCR8DRD4DRD2MCHR1
SCHEMBL6498389 0.64 CCR8 (0.89) SIGMAR1CCR8DRD4DRD2MCHR1
SCHEMBL6498379 0.64 CCR8 (0.89) SIGMAR1CCR8DRD4DRD2MCHR1
SCHEMBL4180562 0.64 ABCB1 (0.42) KCNA5SIGMAR1DRD4DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252821-A1 Aminoalkyl-amidomethyl-substituted 2-(4-sulphonylamino)-3-hydroxy-3,4-dihydro-2H-chroman-6-yl derivatives SOLVAY PHARMACEUTICALS GMBH 2006-11-09 — — 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-20060252821-A1 Aminoalkyl-amidomethyl-substituted 2-(4-sulphonylamino)-3-hydroxy-3,4-dihydro-2H-chroman-6-yl derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PRMT9, ABCC9 KCNA5 929/4885SIGMAR1 133/4885CCR8 1455/4885

“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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