SCHEMBL3533926

SCHEMBL3533926

Nc1ccc2c(c1)[C@H](N)CCC2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.49
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
DRD1 P21728 1/20 0.38
IDO1 P14902 2/20 0.37
HTR6 P50406 1/20 0.37
CTSD P07339 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL30400877 1.00 ACHE (0.49) ACHEBRD4ATAD2DRD1IDO1
SCHEMBL396737 1.00 ACHE (0.49) ACHEBRD4ATAD2DRD1IDO1
Hydrochloric Acid SCHEMBL11744676 0.98 ACHE (0.48) ACHEBRD4ATAD2DRD1IDO1
SCHEMBL2038159 0.88 ACHE (0.45) ACHEDRD1HTR6
SCHEMBL7871371 0.88 ACHE (0.45) ACHEDRD1HTR6
SCHEMBL30918006 0.88 ACHE (0.45) ACHEDRD1HTR6
Hydrochloric Acid SCHEMBL8191914 0.86 ACHE (0.48) ACHEDRD1HTR6
SCHEMBL30268350 0.85 ACHE (0.39) ACHEBRD4ATAD2DRD1CHRNB2
SCHEMBL16062053 0.85 ACHE (0.39) ACHEBRD4ATAD2DRD1CHRNB2
SCHEMBL30099795 0.82 ACHE (0.50) ACHEIDO1

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 2 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-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 ACHE 77/4885BRD4 950/4885ATAD2 2017/4885

“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.