SCHEMBL8027464

SCHEMBL8027464

CC(C)(N)CC(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.55
LMNA P02545 2/20 0.54
AOC3 Q16853 6/20 0.50
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GAA P10253 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
BCAT2 O15382 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3746491 1.00 RIPK1 (0.55) RIPK1LMNAAOC3KDM4EL3MBTL1
SCHEMBL13003036 0.83 RIPK1 (0.64) RIPK1LMNAAOC3KDM4EL3MBTL1
SCHEMBL12435669 0.83 RIPK1 (0.64) RIPK1LMNAAOC3KDM4EL3MBTL1
SCHEMBL5163930 0.83 RIPK1 (0.64) RIPK1LMNAAOC3KDM4EL3MBTL1
SCHEMBL6829386 0.82 NR3C2 (0.39) RIPK1AOC3KDM4ETAAR1HIF1A
SCHEMBL3196437 0.81 RIPK1 (0.57) RIPK1LMNAAOC3KDM4EL3MBTL1
SCHEMBL5046280 0.80 TAAR1 (0.48) RIPK1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL6829522 0.80 AOC3 (0.53) AOC3KDM4E
SCHEMBL13821544 0.80 RIPK1 (0.47) RIPK1LMNAAOC3KDM4EL3MBTL1
Bromide SCHEMBL29799767 0.78 TAAR1 (0.46) RIPK1SLC6A2SLC6A4SLC6A3TAAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213254-B Beta-nitroketone and preparation method and application method thereof 北京师范大学 2023-04-25 CN disclosed
CN-114213254-A Beta-nitroketone, and preparation method and application method thereof 北京师范大学 2022-03-22 CN disclosed
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2011-02-03 US disclosed
WO-2000058262-A1 STEREOSPECIFIC METHOD FOR PREPARING TOMOXETINE AND INTERMEDIATES THEREOF ELI LILLY AND COMPANY (US) 2000-10-05 WO disclosed
US-6008412-A REACTING N-METHYL-3(R,S)-HYDROXY-3-PHENYLPROPYLAMINE WITH S-(+)-MANDELIC ACID; SALT FORMATION ELI LILLY AND COMPANY (US) 1999-12-28 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-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE ACHE, CNR2, SCN1A RIPK1 4703/4885LMNA 1620/4885AOC3 871/4885

“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.