SCHEMBL15533197

SCHEMBL15533197

CCOC(=O)CC(N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
FFAR1 O14842 6/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
KMO O15229 1/20 0.39

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
SCHEMBL15533196 1.00 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4HTTALDH1A1
Hydrochloric Acid SCHEMBL6777080 0.99 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4HTTALDH1A1
SCHEMBL5720979 0.89 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4HTTALDH1A1
SCHEMBL16553024 0.87 KDM4E (0.41) SLC6A3SLC6A2SLC6A4HTTALDH1A1
SCHEMBL16553025 0.87 KDM4E (0.41) SLC6A3SLC6A2SLC6A4HTTALDH1A1
SCHEMBL16553230 0.87 KDM4E (0.41) SLC6A3SLC6A2SLC6A4HTTALDH1A1
SCHEMBL5720935 0.86 L3MBTL1 (0.45) SLC6A3SLC6A2SLC6A4HTTALDH1A1
SCHEMBL7728008 0.85 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4HTTALDH1A1
SCHEMBL8771122 0.85 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4HTTALDH1A1
SCHEMBL5862004 0.85 LMNA (0.47) SLC6A3SLC6A2SLC6A4HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP disclosed
US-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-107428754-B Bicyclic quinazolinone derivatives 豪夫迈·罗氏有限公司 2020-07-31 CN disclosed
US-10676446-B2 Bicyclic quinazolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-09 US disclosed
EP-3280707-A1 BICYCLIC QUINAZOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2018-02-14 EP disclosed
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-01 US disclosed
CN-107428754-A Two ring Quinazol derivatives 豪夫迈·罗氏有限公司 2017-12-01 CN disclosed
WO-2016162390-A1 BICYCLIC QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-10-13 WO disclosed
EP-2852578-A1 SUBSTITUTED ß-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI (FR) 2015-04-01 EP disclosed
WO-2013174485-A1 SUBSTITUTED ß-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS SANOFI (FR) 2013-11-28 WO 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 (3 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-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 SLC6A3 867/4885SLC6A2 1991/4885SLC6A4 1239/4885
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 SLC6A3 867/4885SLC6A2 1991/4885SLC6A4 1239/4885
US-10676446-B2 Bicyclic quinazolinone derivatives BRD4, BICRA, NDUFC2 SLC6A3 867/4885SLC6A2 1991/4885SLC6A4 1239/4885

“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.