SCHEMBL3532691

SCHEMBL3532691

O=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1cccc(Cl)c1Cl)NCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.57
RECQL P46063 2/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3534905 0.87 BDKRB1 (0.61) BDKRB1KMT2AALDH1A1MEN1
SCHEMBL3534033 0.86 BDKRB1 (0.58) BDKRB1KDM4EKMT2AALDH1A1
SCHEMBL3538296 0.84 BDKRB1 (0.57) BDKRB1POLBKDM4EKMT2AHPGD
SCHEMBL3540599 0.81 BDKRB1 (0.54) BDKRB1RAB9APOLBKDM4EALDH1A1
SCHEMBL3531017 0.81 BDKRB1 (0.57) BDKRB1
SCHEMBL3535670 0.79 BDKRB1 (0.65) BDKRB1
SCHEMBL3535672 0.79 BDKRB1 (0.65) BDKRB1
SCHEMBL3534679 0.79 BDKRB1 (0.58) BDKRB1
SCHEMBL13499183 0.78 BDKRB1 (0.66) BDKRB1
SCHEMBL3539928 0.77 BDKRB1 (0.69) BDKRB1KDM4EKMT2AALDH1A1MEN1

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 386/4885RECQL 1971/4885RAB9A 4513/4885

“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.