SCHEMBL4193314

SCHEMBL4193314

CCCCC(C)NCCNC(=O)Cc1ccc2c(c1)C(N)C(O)C(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ KCNA5 P22460 5/20 0.34
▸ KCNE1 P15382 2/20 0.33
▸ KCNQ1 P51787 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ IARS1 P41252 1/20 0.32
▸ ABCB1 P08183 2/20 0.32

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
SCHEMBL4470956 0.88 CA1 (0.47) TRPV1CA1CA2HPGDKCNA5
SCHEMBL4188579 0.85 KCNA5 (0.35) TRPV1CA1CA2HPGDKCNA5
SCHEMBL4193309 0.81 KCNA5 (0.40) TRPV1CA1CA2HPGDKCNA5
SCHEMBL4193311 0.81 KCNA5 (0.40) TRPV1CA1CA2HPGDKCNA5
SCHEMBL4490339 0.76 NPC1 (0.46) CA1CA2HPGDKCNA5L3MBTL1
SCHEMBL4192882 0.75 CYP2D6 (0.47) HPGD
SCHEMBL4192886 0.75 CYP2D6 (0.47) HPGD
SCHEMBL4185887 0.72 ACKR3 (0.42) KCNA5
SCHEMBL4185884 0.72 ACKR3 (0.42) KCNA5
SCHEMBL4492535 0.72 CA1 (0.47) TRPV1CA1CA2HPGDKCNA5

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 5 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
EP-1871758-A1 AMINOALKYL-AMIDOMETHYL-SUBSTITUTED 2- (4-SULPHONYLAMINO) -3-HYDROXY-3 , 4-DIHYDRO-2H-CROMEN-6-YL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL BLOCKERS Solvay Pharmaceuticals GmbH (DE) 2008-01-02 — — EP 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
WO-2006108837-A1 AMINOALKYL-AMIDOMETHYL-SUBSTITUTED 2- (4-SULPHONYLAMINO) -3-HYDROXY-3 , 4-DIHYDRO-2H-CROMEN-6-YL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL BLOCKERS SOLVAY PHARMACEUTICALS GMBH (DE) 2006-10-19 — — WO 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 TRPV1 2919/4885CA1 4713/4885CA2 3423/4885
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 TRPV1 3073/4885CA1 4707/4885CA2 3507/4885

“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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