SCHEMBL3533260

SCHEMBL3533260

CC(C)(C)OC(=O)NC1CCCc2cc(CC=O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
BDKRB1 P46663 11/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 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
SCHEMBL3533263 1.00 ALDH1A1 (0.43) ALDH1A1BDKRB1TAS1R3TAS1R1TAS1R2
SCHEMBL1725049 0.89 ALDH1A1 (0.44) ALDH1A1BDKRB1TAS1R3TAS1R1TAS1R2
SCHEMBL1725050 0.89 ALDH1A1 (0.44) ALDH1A1BDKRB1TAS1R3TAS1R1TAS1R2
SCHEMBL13936477 0.89 ALDH1A1 (0.44) ALDH1A1BDKRB1TAS1R3TAS1R1TAS1R2
SCHEMBL3537141 0.88 CFD (0.49) ALDH1A1BDKRB1TAS1R3TAS1R1TAS1R2
SCHEMBL3537138 0.88 CFD (0.49) ALDH1A1BDKRB1TAS1R3TAS1R1TAS1R2
SCHEMBL3532767 0.88 ALDH1A1 (0.43) ALDH1A1BDKRB1TAS1R3TAS1R1TAS1R2
SCHEMBL3532766 0.88 ALDH1A1 (0.43) ALDH1A1BDKRB1TAS1R3TAS1R1TAS1R2
SCHEMBL2109720 0.87 BDKRB1 (0.51) ALDH1A1BDKRB1
SCHEMBL2629482 0.87 BDKRB1 (0.44) ALDH1A1BDKRB1TAS1R3TAS1R1TAS1R2

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 ALDH1A1 158/4885BDKRB1 386/4885TAS1R3 3448/4885
US-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 ALDH1A1 224/4885BDKRB1 419/4885TAS1R3 2405/4885

“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.