SCHEMBL4180562

SCHEMBL4180562

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.42
▸ KCNA5 P22460 4/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ NPFFR1 Q9GZQ6 2/20 0.39
▸ NPFFR2 Q9Y5X5 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ CCR3 P51677 1/20 0.38
▸ SIGMAR1 Q99720 3/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ADRA2B P18089 1/20 0.36

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
SCHEMBL4180566 1.00 ABCB1 (0.42) ABCB1KCNA5ALDH1A1NPFFR1NPFFR2
SCHEMBL4192201 0.85 SIGMAR1 (0.49) ABCB1KCNA5CCR3SIGMAR1
SCHEMBL4186056 0.84 EPHX2 (0.44) ABCB1KCNA5ALDH1A1EPHX2CCR3
SCHEMBL4186053 0.84 EPHX2 (0.44) ABCB1KCNA5ALDH1A1EPHX2CCR3
SCHEMBL4198012 0.84 KCNA5 (0.42) ABCB1KCNA5ALDH1A1EPHX2CCR3
SCHEMBL4198014 0.84 KCNA5 (0.42) ABCB1KCNA5ALDH1A1EPHX2CCR3
SCHEMBL4186021 0.81 ABCB1 (0.46) ABCB1KCNA5ALDH1A1MEN1LMNA
SCHEMBL4186020 0.81 ABCB1 (0.46) ABCB1KCNA5ALDH1A1MEN1LMNA
SCHEMBL4188587 0.78 CYP2D6 (0.43) ABCB1ALDH1A1DRD2KMT2A
SCHEMBL1502287 0.77 DRD4 (0.52) ALDH1A1NPFFR1NPFFR2EPHX2CCR3

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 ABCB1 392/4885KCNA5 929/4885ALDH1A1 737/4885
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 ABCB1 358/4885KCNA5 1080/4885ALDH1A1 681/4885

“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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