SCHEMBL3531701

SCHEMBL3531701

N[C@@H]1CCCc2c1ccc(CN1CCCCC1)c2[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37
ACHE P22303 1/20 0.36
PKM P14618 1/20 0.34
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 1/20 0.33

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
SCHEMBL5950841 0.77 BDKRB1 (0.38)
SCHEMBL5950839 0.77 BDKRB1 (0.38)
SCHEMBL3536827 0.74 MEN1 (0.52) MEN1KMT2A
SCHEMBL5333511 0.68 MAPT (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL27986551 0.67 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2629471 0.65 OPRD1 (0.56) ALDH1A1HTTPOLB
SCHEMBL2110992 0.65 OPRD1 (0.56) ALDH1A1HTTPOLB
SCHEMBL29325249 0.65 MAPT (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL5950882 0.64 OPRD1 (0.55) ALDH1A1HTTPOLB
SCHEMBL11192692 0.64 LMNA (0.56) MEN1KMT2AALDH1A1KDM4EPKM

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 3 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-20060111347-A1 Substituted sulfones and methods of use AMGEN INC. (US) 2006-05-25 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 (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 MEN1 4335/4885KMT2A 1654/4885ALDH1A1 158/4885
US-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 MEN1 4460/4885KMT2A 3354/4885ALDH1A1 224/4885

“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.