SCHEMBL2629486

SCHEMBL2629486

CNc1ccc2c(c1)CCC(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
ACHE P22303 4/20 0.46
EPHX2 P34913 1/20 0.45
DRD2 P14416 4/20 0.44
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NAMPT P43490 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
CTSK P43235 2/20 0.40
BTK Q06187 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7399411 0.85 CA1 (0.64) CA1CA2ACHEEPHX2DRD2
SCHEMBL13262741 0.85 CA1 (0.48) CA1CA2ACHEEPHX2DRD2
SCHEMBL13263584 0.84 CA1 (0.47) CA1CA2ACHEEPHX2DRD2
SCHEMBL4101120 0.84 CA1 (0.47) CA1CA2ACHEEPHX2DRD2
SCHEMBL13189441 0.84 CA1 (0.47) CA1CA2ACHEEPHX2DRD2
SCHEMBL17478343 0.84 CA1 (0.47) CA1CA2ACHEEPHX2DRD2
SCHEMBL17478424 0.84 CA1 (0.47) CA1CA2ACHEEPHX2DRD2
SCHEMBL4119861 0.84 CA1 (0.47) CA1CA2ACHEEPHX2DRD2
SCHEMBL1338041 0.84 CA1 (0.47) CA1CA2ACHEEPHX2DRD2
SCHEMBL28888446 0.83 APOB (0.48) CA1CA2ACHE

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
WO-2010099938-A1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS Grünenthal GmbH (DE) 2010-09-10 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 (1 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-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 CA1 4125/4885CA2 1864/4885ACHE 783/4885

“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.