SCHEMBL4178692

SCHEMBL4178692

CC(C)CCN(C1c2cc(CC(=O)NCCN3CCCCC3)ccc2OC(C)(C)C1O)S(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 10/20 0.46
▸ SIGMAR1 Q99720 3/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 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
SCHEMBL4178689 1.00 KCNA5 (0.46) KCNA5SIGMAR1CA12CA9CYP2D6
SCHEMBL4189528 0.78 CYP2D6 (0.43) KCNA5CYP2D6GAASMN1; SMN2
SCHEMBL4189523 0.78 CYP2D6 (0.43) KCNA5CYP2D6GAASMN1; SMN2
SCHEMBL4186208 0.75 KCNA5 (0.49) KCNA5CYP2D6GAACYP1A2
SCHEMBL4192886 0.75 CYP2D6 (0.47) CYP2D6GAASMN1; SMN2
SCHEMBL4192882 0.75 CYP2D6 (0.47) CYP2D6GAASMN1; SMN2
SCHEMBL12678197 0.71 KCNA5 (0.42) KCNA5SIGMAR1
SCHEMBL4188587 0.69 CYP2D6 (0.43) CYP2D6GAASMN1; SMN2
SCHEMBL4476592 0.68 KCNA5 (0.81) KCNA5
SCHEMBL4491920 0.66 KCNA5 (0.71) 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 3 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-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-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 (2 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 133/4885CA12 4628/4885
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 127/4885CA12 4527/4885

“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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