SCHEMBL3529155

SCHEMBL3529155

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
KDM4C Q9H3R0 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTR6 P50406 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP3A4 P08684 1/20 0.33
XBP1 P17861 1/20 0.33
GCGR P47871 1/20 0.33
GIPR P48546 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
SCHEMBL3529157 1.00 RAB9A (0.36) RAB9ATRPM8KDM4CALDH1A1HTT
SCHEMBL3535779 0.81 ACHE (0.41) HTR6CYP3A4
SCHEMBL3535777 0.81 ACHE (0.41) HTR6CYP3A4
SCHEMBL3538646 0.76 ACHE (0.34) ALDH1A1HTTKMT2AHSP90AA1GAA
SCHEMBL3530895 0.75 KDM4C (0.39) RAB9AKDM4CALDH1A1HTTHTR6
SCHEMBL3530897 0.75 KDM4C (0.39) RAB9AKDM4CALDH1A1HTTHTR6
SCHEMBL3536252 0.75 ALDH1A1 (0.37) RAB9ATRPM8KDM4CALDH1A1HTT
SCHEMBL3536253 0.75 ALDH1A1 (0.37) RAB9ATRPM8KDM4CALDH1A1HTT
SCHEMBL1827400 0.71 SRD5A1 (0.40)
SCHEMBL5950806 0.70 BDKRB1 (0.49)

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 RAB9A 4513/4885TRPM8 1141/4885KDM4C 987/4885

“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.