SCHEMBL4189523

SCHEMBL4189523

CC(C)CCN[C@@H]1c2cc(CC(=O)NCCN3CCCCC3)ccc2OC(C)(C)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 3/20 0.39
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ABCB1 P08183 5/20 0.35
▸ KCNA5 P22460 3/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 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
SCHEMBL4189528 1.00 CYP2D6 (0.43) CYP2D6GAASMN1; SMN2POLBHPGD
SCHEMBL4192886 0.83 CYP2D6 (0.47) CYP2D6GAASMN1; SMN2POLBHPGD
SCHEMBL4192882 0.83 CYP2D6 (0.47) CYP2D6GAASMN1; SMN2POLBHPGD
SCHEMBL4198014 0.78 KCNA5 (0.42) CYP2D6ALDH1A1ABCB1KCNA5
SCHEMBL4198012 0.78 KCNA5 (0.42) CYP2D6ALDH1A1ABCB1KCNA5
SCHEMBL4178692 0.78 KCNA5 (0.46) CYP2D6GAASMN1; SMN2KCNA5
SCHEMBL4178689 0.78 KCNA5 (0.46) CYP2D6GAASMN1; SMN2KCNA5
SCHEMBL4192661 0.73 ACKR3 (0.38) ABCB1KCNA5
SCHEMBL4192654 0.73 ACKR3 (0.38) ABCB1KCNA5
SCHEMBL4188579 0.70 KCNA5 (0.35) HPGDABCB1KCNA5

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 CYP2D6 103/4885GAA 2384/4885SMN1; SMN2 2616/4885
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 CYP2D6 95/4885GAA 2132/4885SMN1; SMN2 2554/4885

“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.

Send feedback