SCHEMBL3538646

SCHEMBL3538646

CC(NC(C)(C)C)c1ccc2c(c1)CCC[C@H]2N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
OPRD1 P41143 4/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 2/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL4146221 0.85 ACHE (0.36) ACHEOPRD1ALDH1A1LMNAKMT2A
SCHEMBL4148595 0.84 OPRD1 (0.33) ACHEOPRD1ALDH1A1LMNAKMT2A
SCHEMBL4145997 0.82 GAA (0.42) ACHEOPRD1ALDH1A1LMNAKMT2A
SCHEMBL4145688 0.81 GAA (0.48) ACHEOPRD1ALDH1A1LMNAKMT2A
SCHEMBL4146069 0.81 GAA (0.44) ACHEOPRD1ALDH1A1LMNAKMT2A
SCHEMBL10257602 0.81 CHRNB2 (0.39) ACHEOPRD1ALDH1A1LMNAKMT2A
SCHEMBL10257512 0.81 CHRNB2 (0.39) ACHEOPRD1ALDH1A1LMNAKMT2A
SCHEMBL4146772 0.80 PARP1 (0.36) ACHEOPRD1ALDH1A1LMNA
SCHEMBL4145570 0.80 OPRD1 (0.33) ACHEOPRD1ALDH1A1LMNAKMT2A
SCHEMBL4152497 0.76 HTR6 (0.37) ACHEOPRD1ALDH1A1LMNAKMT2A

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 ACHE 77/4885OPRD1 516/4885ALDH1A1 158/4885
US-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 ACHE 239/4885OPRD1 396/4885ALDH1A1 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.