SCHEMBL5221385

SCHEMBL5221385

COc1ccc(CN2C(=O)C(C)Cc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CASP3 P42574 2/20 0.52
APAF1 O14727 1/20 0.52
GAA P10253 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
DRD2 P14416 3/20 0.51
DRD4 P21917 3/20 0.51
GSK3B P49841 3/20 0.51
CACNA1S Q13698 2/20 0.51
ALDH1A1 P00352 1/20 0.50
CMA1 P23946 1/20 0.50
ADK P55263 1/20 0.48
GSK3A P49840 1/20 0.48
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL30100700 1.00 L3MBTL1 (0.54) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL5668583 0.87 MEN1 (0.55) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL30489292 0.86 POLB (0.55) MEN1KMT2AGAADRD2DRD4
SCHEMBL28995159 0.86 POLB (0.55) MEN1KMT2AGAADRD2DRD4
SCHEMBL31370950 0.86 L3MBTL1 (0.56) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL28844252 0.86 L3MBTL1 (0.53) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL30489293 0.85 MEN1 (0.48) L3MBTL1MEN1KMT2ADRD2GSK3B
SCHEMBL28995167 0.85 MEN1 (0.48) L3MBTL1MEN1KMT2ADRD2GSK3B
SCHEMBL31414463 0.83 XIAP (0.51) MEN1KMT2ACASP3APAF1GAA
SCHEMBL26604864 0.83 XIAP (0.51) MEN1KMT2ACASP3APAF1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
WO-2021151062-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERISTY (US) 2021-07-29 WO disclosed
EP-1622874-B1 3,4-DIHYDRO-1H-QUINOLIN-2-ONE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2007-10-03 EP disclosed
US-20070105845-A1 Quinolone derivatives ELI LILLY AND COMPANY PATENT DIVISION (US) 2007-05-10 US disclosed
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-05-10 US disclosed
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY A CORPORATION 2007-02-08 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors ELILILLY AND COMPANY (US) 2006-10-26 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 (6 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-20070105845-A1 Quinolone derivatives NQO2, NQO1, RECQL L3MBTL1 4674/4885MEN1 694/4885KMT2A 2950/4885
US-20060241188-A1 Treatment of pervasive developemental disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 L3MBTL1 2442/4885MEN1 2755/4885KMT2A 647/4885
US-20070105960-A1 Treatment of learning disabilities and motor skills disorder with norepinephrine reuptake inhibitors SLC6A2, SLC6A3, SLC6A4 L3MBTL1 186/4885MEN1 4612/4885KMT2A 565/4885
US-20070032554-A1 Treatment of stuttering and other communication disorders with norepinephrine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 L3MBTL1 3451/4885MEN1 2243/4885KMT2A 2954/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A L3MBTL1 3499/4885MEN1 237/4885KMT2A 2399/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 L3MBTL1 4720/4885MEN1 1551/4885KMT2A 1358/4885

“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.