SCHEMBL4192631

SCHEMBL4192631

CN1CCCC1CCNC(=O)Cc1ccc2c(c1)C(NC(=O)OC(C)(C)C)C(O)C(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 8/20 0.39
▸ ACKR3 P25106 3/20 0.38
▸ GLS O94925 1/20 0.36
▸ KCNA5 P22460 5/20 0.36
▸ ABCC9 O60706 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
SCHEMBL4187959 1.00 ABCB1 (0.39) ABCB1ACKR3GLSKCNA5ABCC9
SCHEMBL4188587 0.86 CYP2D6 (0.43) ABCB1
SCHEMBL4185884 0.83 ACKR3 (0.42) ACKR3GLSKCNA5
SCHEMBL4185887 0.83 ACKR3 (0.42) ACKR3GLSKCNA5
SCHEMBL4192654 0.82 ACKR3 (0.38) ABCB1ACKR3GLSKCNA5
SCHEMBL4192661 0.82 ACKR3 (0.38) ABCB1ACKR3GLSKCNA5
SCHEMBL4183551 0.78 ABCB1 (0.50) ABCB1ABCC9
SCHEMBL4183553 0.78 ABCB1 (0.50) ABCB1ABCC9
SCHEMBL4192201 0.75 SIGMAR1 (0.49) ABCB1KCNA5
SCHEMBL4193299 0.74 ABCB1 (0.48) ABCB1ABCC9

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 392/4885ACKR3 463/4885GLS 888/4885
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 358/4885ACKR3 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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