SCHEMBL3533804

SCHEMBL3533804

C[C@@H](NC(=O)C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.89
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL3534681 1.00 BDKRB1 (0.89) BDKRB1MEN1PKMKMT2AKDM4E
SCHEMBL3529130 0.94 BDKRB1 (1.00) BDKRB1
SCHEMBL3532664 0.93 BDKRB1 (0.84) BDKRB1ALDH1A1
SCHEMBL3539928 0.85 BDKRB1 (0.69) BDKRB1MEN1PKMKMT2AKDM4E
SCHEMBL3533249 0.84 BDKRB1 (0.81) BDKRB1
SCHEMBL3533796 0.83 BDKRB1 (0.80) BDKRB1
SCHEMBL3533887 0.83 BDKRB1 (0.80) BDKRB1
SCHEMBL3531386 0.83 BDKRB1 (0.69) BDKRB1MEN1PKMKMT2AKDM4E
SCHEMBL3529809 0.83 BDKRB1 (0.81) BDKRB1
SCHEMBL3532349 0.82 BDKRB1 (0.80) BDKRB1

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 4 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
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 386/4885MEN1 4335/4885PKM 873/4885

“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.