SCHEMBL3530897

SCHEMBL3530897

CC(C)(C)N(C(=O)O)C1CCCc2cc(CO)ccc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.39
ALDH1A1 P00352 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.37
OPRD1 P41143 3/20 0.37
HTR6 P50406 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL3530895 1.00 KDM4C (0.39) KDM4CALDH1A1XBP1HTTRAB9A
SCHEMBL5950809 0.84 BDKRB1 (0.49) OPRD1
SCHEMBL5950806 0.84 BDKRB1 (0.49) OPRD1
SCHEMBL5950808 0.82 BDKRB1 (0.40) OPRD1
SCHEMBL5950807 0.82 BDKRB1 (0.40) OPRD1
SCHEMBL3536253 0.80 ALDH1A1 (0.37) KDM4CALDH1A1XBP1HTTRAB9A
SCHEMBL3536252 0.80 ALDH1A1 (0.37) KDM4CALDH1A1XBP1HTTRAB9A
SCHEMBL3529155 0.75 RAB9A (0.36) KDM4CALDH1A1XBP1HTTRAB9A
SCHEMBL3529157 0.75 RAB9A (0.36) KDM4CALDH1A1XBP1HTTRAB9A
SCHEMBL1827400 0.75 SRD5A1 (0.40)

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 KDM4C 987/4885ALDH1A1 158/4885XBP1 3092/4885

“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.