SCHEMBL3540135

SCHEMBL3540135

CCOC(=O)CCCc1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.53
ESR2 Q92731 4/20 0.53
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
SLC6A2 P23975 2/20 0.44
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NAMPT P43490 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
SCHEMBL14677183 0.83 ESR2 (0.59) ESR1ESR2TMEM97SIGMAR1SLC6A2
SCHEMBL565064 0.79 ESR1 (0.58) ESR1ESR2ABHD6
SCHEMBL3531938 0.78 NAMPT (0.46) ESR1ESR2MEN1KMT2ANAMPT
SCHEMBL23262028 0.78 CYP4Z1 (0.49) CYP4Z1CYP4F11CYP4F12ALDH1A1MAPK1
SCHEMBL4710037 0.78 ESR1 (0.60) ESR1ESR2PKMKMT2AABHD6
SCHEMBL31680211 0.78 ESR1 (0.47) ESR1ESR2TMEM97SIGMAR1SLC6A2
SCHEMBL19643014 0.78 ESR1 (0.47) ESR1ESR2TMEM97SIGMAR1SLC6A2
SCHEMBL4680153 0.77 ESR1 (0.55) ESR1ESR2PKMMEN1KMT2A
SCHEMBL13650396 0.77 ESR1 (0.68) ESR1ESR2PKMMEN1KMT2A
SCHEMBL22070855 0.77 ESR1 (0.68) ESR1ESR2PKMNAMPTABHD6

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 disclosed
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-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
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 (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 ESR1 3988/4885ESR2 1798/4885TMEM97 2999/4885

“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.