SCHEMBL16365845

SCHEMBL16365845

CC1CC(C)CN(C(=O)C(C)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 1/20 0.51
▸ ATG4B Q9Y4P1 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRB3 P13945 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ HTR6 P50406 1/20 0.44

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
SCHEMBL16365588 0.84 PLA2G1B (0.51) PLA2G1BATG4BALDH1A1LMNAHTT
SCHEMBL15038940 0.81 BCHE (0.42) PLA2G1BATG4BALDH1A1MEN1KMT2A
SCHEMBL15369229 0.81 BCHE (0.42) PLA2G1BATG4BALDH1A1MEN1KMT2A
SCHEMBL20663572 0.81 BCHE (0.42) PLA2G1BATG4BALDH1A1MEN1KMT2A
SCHEMBL14923257 0.81 GAA (0.66) ALDH1A1MEN1KMT2AGAAHPGD
SCHEMBL7131843 0.79 CNR1 (0.61) MEN1KMT2AGAABCHEHTR1A
SCHEMBL22808475 0.79 CNR1 (0.61) MEN1KMT2AGAABCHEHTR1A
SCHEMBL21897231 0.79 PIK3CD (0.48) PLA2G1BATG4BALDH1A1LMNAHTT
SCHEMBL13694373 0.79 CHRNB2 (0.58) —
SCHEMBL19884282 0.79 KMT2A (0.40) PLA2G1BATG4BALDH1A1LMNAHTT

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
US-9162972-B2 Method for production of hydroxycarboxylic acid amide compounds and novel arylboronic acid compound NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-10-20 — — US disclosed
US-9162972-B2 Method for production of hydroxycarboxylic acid amide compounds and novel arylboronic acid compound NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-10-20 — — US disclosed
US-20150011766-A1 METHOD FOR PRODUCTION OF HYDROXYCARBOXYLIC ACID AMIDE COMPOUNDS AND NOVEL ARYLBORONIC ACID COMPOUND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-01-08 — — US disclosed
US-20150011766-A1 METHOD FOR PRODUCTION OF HYDROXYCARBOXYLIC ACID AMIDE COMPOUNDS AND NOVEL ARYLBORONIC ACID COMPOUND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-01-08 — — US disclosed
EP-2816026-A1 PRODUCTION METHOD FOR HYDROXY-CARBOXYLIC ACID AMIDE COMPOUND, AND NOVEL ARYLBORONIC ACID COMPOUND National University Corporation Nagoya University (JP) 2014-12-24 — — EP 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-20150011766-A1 METHOD FOR PRODUCTION OF HYDROXYCARBOXYLIC ACID AMIDE COMPOUNDS AND NOVEL ARYLBORONIC ACID COMPOUND HCAR2, HCAR1, NCOR2 PLA2G1B 2188/4885ATG4B 2250/4885ALDH1A1 791/4885

“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.

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