SCHEMBL4188577

SCHEMBL4188577

CCCCN(CC)CCNC(=O)Cc1ccc2c(c1)C(NCC(CC)CC)C(O)C(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 5/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ ABCB1 P08183 4/20 0.35
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL4188574 1.00 KCNA5 (0.37) KCNA5ALDH1A1ABCB1LMNAL3MBTL1
SCHEMBL4193311 0.84 KCNA5 (0.40) KCNA5ALDH1A1LMNAL3MBTL1TRPV1
SCHEMBL4193309 0.84 KCNA5 (0.40) KCNA5ALDH1A1LMNAL3MBTL1TRPV1
SCHEMBL4188579 0.84 KCNA5 (0.35) KCNA5ABCB1TRPV1CA1CA2
SCHEMBL4186208 0.78 KCNA5 (0.49) KCNA5GAA
SCHEMBL4192661 0.77 ACKR3 (0.38) KCNA5ABCB1
SCHEMBL4192654 0.77 ACKR3 (0.38) KCNA5ABCB1
SCHEMBL4470956 0.72 CA1 (0.47) KCNA5L3MBTL1TRPV1CA1CA2
SCHEMBL4185560 0.70 KCNA5 (0.49) KCNA5
SCHEMBL4185562 0.70 KCNA5 (0.49) 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 929/4885ALDH1A1 737/4885ABCB1 392/4885
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 681/4885ABCB1 358/4885

“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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