SCHEMBL3534905

SCHEMBL3534905

O=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1cccc(Cl)c1Cl)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.61
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3534033 0.92 BDKRB1 (0.58) BDKRB1L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL3531017 0.90 BDKRB1 (0.57) BDKRB1L3MBTL1
SCHEMBL3538296 0.90 BDKRB1 (0.57) BDKRB1L3MBTL1MEN1ALDH1A1MAPT
SCHEMBL3534679 0.88 BDKRB1 (0.58) BDKRB1L3MBTL1
SCHEMBL3532691 0.87 BDKRB1 (0.57) BDKRB1MEN1ALDH1A1KMT2A
SCHEMBL3535670 0.85 BDKRB1 (0.65) BDKRB1
SCHEMBL3535672 0.85 BDKRB1 (0.65) BDKRB1
SCHEMBL3531510 0.84 BDKRB1 (0.59) BDKRB1
SCHEMBL3535022 0.83 BDKRB1 (0.58) BDKRB1
SCHEMBL3539928 0.83 BDKRB1 (0.69) BDKRB1MEN1ALDH1A1KMT2A

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
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US claimed
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP claimed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO claimed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 US claimed
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 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 (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-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S BDKRB1 386/4885L3MBTL1 2572/4885MEN1 4335/4885

“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.