SCHEMBL12678195

SCHEMBL12678195

CCC(CC)CN([C@@H]1c2cc(CC(=O)NCCC3CCCN3C)ccc2OC(C)(C)[C@H]1O)S(=O)(=O)c1cc(C)c(Cl)cc1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 14/20 0.39
▸ ACKR3 P25106 1/20 0.32
▸ GLS O94925 1/20 0.31
▸ KCNE1 P15382 1/20 0.30
▸ KCNQ1 P51787 1/20 0.30
▸ METAP2 P50579 1/20 0.30
▸ LCK P06239 1/20 0.30

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
SCHEMBL4192661 0.76 ACKR3 (0.38) KCNA5ACKR3GLS
SCHEMBL4192654 0.76 ACKR3 (0.38) KCNA5ACKR3GLS
SCHEMBL4185884 0.74 ACKR3 (0.42) KCNA5ACKR3GLS
SCHEMBL4185887 0.74 ACKR3 (0.42) KCNA5ACKR3GLS
SCHEMBL4482319 0.71 KCNA5 (0.41) KCNA5KCNE1KCNQ1
SCHEMBL4192631 0.70 ABCB1 (0.39) KCNA5ACKR3GLS
SCHEMBL4187959 0.70 ABCB1 (0.39) KCNA5ACKR3GLS
SCHEMBL4186208 0.68 KCNA5 (0.49) KCNA5KCNE1KCNQ1
SCHEMBL4186078 0.66 SIGMAR1 (0.48) KCNA5
SCHEMBL4178692 0.65 KCNA5 (0.46) KCNA5

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 1080/4885ACKR3 611/4885GLS 857/4885

“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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