SCHEMBL12678197

SCHEMBL12678197

COc1cccc(S(=O)(=O)N(CCC(C)C)[C@@H]2c3cc(CC(=O)NCC4CN(Cc5ccccc5)CCO4)ccc3OC(C)(C)[C@H]2O)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 9/20 0.42
▸ SIGMAR1 Q99720 1/20 0.37
▸ DRD4 P21917 6/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ EPHX2 P34913 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
SCHEMBL4186078 0.80 SIGMAR1 (0.48) KCNA5SIGMAR1
SCHEMBL4198014 0.78 KCNA5 (0.42) KCNA5SIGMAR1DRD4DRD2DRD3
SCHEMBL4198012 0.78 KCNA5 (0.42) KCNA5SIGMAR1DRD4DRD2DRD3
SCHEMBL4186053 0.77 EPHX2 (0.44) KCNA5SIGMAR1DRD4DRD2DRD3
SCHEMBL4186056 0.77 EPHX2 (0.44) KCNA5SIGMAR1DRD4DRD2DRD3
SCHEMBL4180562 0.73 ABCB1 (0.42) KCNA5SIGMAR1DRD4DRD2DRD3
SCHEMBL4180566 0.73 ABCB1 (0.42) KCNA5SIGMAR1DRD4DRD2DRD3
SCHEMBL4178692 0.71 KCNA5 (0.46) KCNA5SIGMAR1
SCHEMBL4178689 0.71 KCNA5 (0.46) KCNA5SIGMAR1
SCHEMBL5832019 0.69 CCR3 (0.52) SIGMAR1DRD4DRD3LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273905-B2 Aminoalkyl-amidomethyl-substituted 2-(4-sulphonylamino)-3-hydroxy-3,4-dihydro-2H-chroman-6-yl derivatives ABBOTT PRODUCTS GMBH (DE) 2012-09-25 — — US disclosed
US-8273905-B2 Aminoalkyl-amidomethyl-substituted 2-(4-sulphonylamino)-3-hydroxy-3,4-dihydro-2H-chroman-6-yl derivatives ABBOTT PRODUCTS GMBH (DE) 2012-09-25 — — US disclosed
US-7714150-B2 Aminoalkyl-amidomethyl-substituted 2-(4-sulphonylamino)-3-hydroxy-3,4-dihydro-2H-chroman-6-yl derivatives SOLVAY PHARMACEUTICALS GMBH (DE) 2010-05-11 — — US disclosed
US-7714150-B2 Aminoalkyl-amidomethyl-substituted 2-(4-sulphonylamino)-3-hydroxy-3,4-dihydro-2H-chroman-6-yl derivatives SOLVAY PHARMACEUTICALS GMBH (DE) 2010-05-11 — — US disclosed
US-20090203686-A1 Aminoalkyl-Amidomethyl-Substituted 2-(4-Sulphonylamino)- 3-Hydroxy-3,4-Dihydro-2H-Chroman-6-yl Derivatives SOLVAY PHARMACEUTICALS GMBH (DE) 2009-08-13 — — US disclosed
US-20090203686-A1 Aminoalkyl-Amidomethyl-Substituted 2-(4-Sulphonylamino)- 3-Hydroxy-3,4-Dihydro-2H-Chroman-6-yl Derivatives SOLVAY PHARMACEUTICALS GMBH (DE) 2009-08-13 — — 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-20090203686-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, ARG1 KCNA5 1080/4885SIGMAR1 127/4885DRD4 215/4885

“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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