SCHEMBL4198012

SCHEMBL4198012

CC(C)CCN[C@@H]1c2cc(CC(=O)NCC3CN(Cc4ccccc4)CCO3)ccc2OC(C)(C)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ CCR3 P51677 1/20 0.39
▸ ABCB1 P08183 4/20 0.38
▸ DRD4 P21917 5/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL4198014 1.00 KCNA5 (0.42) KCNA5ALDH1A1EPHX2CCR3ABCB1
SCHEMBL4186053 0.86 EPHX2 (0.44) KCNA5ALDH1A1EPHX2CCR3ABCB1
SCHEMBL4186056 0.86 EPHX2 (0.44) KCNA5ALDH1A1EPHX2CCR3ABCB1
SCHEMBL4180562 0.84 ABCB1 (0.42) KCNA5ALDH1A1EPHX2CCR3ABCB1
SCHEMBL4180566 0.84 ABCB1 (0.42) KCNA5ALDH1A1EPHX2CCR3ABCB1
SCHEMBL4189523 0.78 CYP2D6 (0.43) KCNA5ALDH1A1ABCB1CYP2D6
SCHEMBL4189528 0.78 CYP2D6 (0.43) KCNA5ALDH1A1ABCB1CYP2D6
SCHEMBL12678197 0.78 KCNA5 (0.42) KCNA5EPHX2DRD4DRD2DRD3
SCHEMBL4185560 0.73 KCNA5 (0.49) KCNA5CCR3SIGMAR1
SCHEMBL4185562 0.73 KCNA5 (0.49) KCNA5CCR3SIGMAR1

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 929/4885ALDH1A1 737/4885EPHX2 2997/4885
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 1080/4885ALDH1A1 681/4885EPHX2 2723/4885

“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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