SCHEMBL3532546

SCHEMBL3532546

NCc1ccc2c(c1)CCCC2NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.56
BDKRB1 P46663 6/20 0.50
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TAS1R3 Q7RTX0 4/20 0.45
TAS1R1 Q7RTX1 4/20 0.45
TAS1R2 Q8TE23 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL27043058 0.92 CA12 (0.47) CFDBDKRB1TAS1R3TAS1R1TAS1R2
SCHEMBL3536911 0.88 LMNA (0.49) BDKRB1HTTALDH1A1LMNAHSD17B10
SCHEMBL5321544 0.85 BDKRB1 (0.46) BDKRB1HTTALDH1A1LMNAHSD17B10
SCHEMBL3537138 0.82 CFD (0.49) CFDBDKRB1ALDH1A1LMNAHSD17B10
SCHEMBL3537141 0.82 CFD (0.49) CFDBDKRB1ALDH1A1LMNAHSD17B10
SCHEMBL5277198 0.81 BDKRB1 (0.59) BDKRB1
SCHEMBL5183278 0.81 BDKRB1 (0.68) BDKRB1
SCHEMBL5407348 0.80 BDKRB1 (0.43) BDKRB1HTTALDH1A1LMNAHSD17B10
SCHEMBL22772302 0.80 TAS1R3 (0.55) HTTALDH1A1LMNATAS1R3TAS1R1
SCHEMBL23363303 0.80 LIPG (0.45) CFDBDKRB1HTTALDH1A1LMNA

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 CFD 4370/4885BDKRB1 386/4885HTT 3048/4885

“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.