SCHEMBL3533659

SCHEMBL3533659

O=C(NC1CCCc2cc(CN3CCCCC3)c([N+](=O)[O-])cc21)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.38

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
SCHEMBL3533657 1.00 BDKRB1 (0.41) BDKRB1MEN1KMT2ADRD2
SCHEMBL3533885 0.86 CYP1A2 (0.42) MEN1KMT2ADRD2
SCHEMBL3533886 0.86 CYP1A2 (0.42) MEN1KMT2ADRD2
SCHEMBL3534961 0.81 POLB (0.40) BDKRB1MEN1KMT2ADRD2
SCHEMBL3534959 0.81 POLB (0.40) BDKRB1MEN1KMT2ADRD2
SCHEMBL5950841 0.79 BDKRB1 (0.38) BDKRB1DRD2
SCHEMBL5950839 0.79 BDKRB1 (0.38) BDKRB1DRD2
SCHEMBL3535458 0.78 MEN1 (0.39) BDKRB1MEN1KMT2ADRD2
SCHEMBL3535460 0.78 MEN1 (0.39) BDKRB1MEN1KMT2ADRD2
SCHEMBL3536827 0.77 MEN1 (0.52) MEN1KMT2A

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-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
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 disclosed
US-20060111347-A1 Substituted sulfones and methods of use AMGEN INC. (US) 2006-05-25 US disclosed
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 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 (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-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S BDKRB1 386/4885MEN1 4335/4885KMT2A 1654/4885
US-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 BDKRB1 419/4885MEN1 4460/4885KMT2A 3354/4885

“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.