SCHEMBL460319

SCHEMBL460319

CCOC(=O)c1nc(Cl)ncc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TLR9 Q9NR96 1/20 0.48
HPGD P15428 1/20 0.44
DPP4 P27487 3/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA6 Q16445 1/20 0.43
PDGFRB P09619 1/20 0.42

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
SCHEMBL16498192 0.84 HPGD (0.46) HTTALDH1A1NPC1TP53MAPT
SCHEMBL28208309 0.84 NPSR1 (0.45) ALDH1A1MAPTMAPK1NPSR1HSD17B10
SCHEMBL21678973 0.83 ALDH1A1 (0.51) HTTALDH1A1NPC1TP53MAPT
SCHEMBL16709919 0.83 MAPT (0.67) HTTALDH1A1NPC1TP53MAPT
SCHEMBL30173602 0.83 MAPT (0.67) HTTALDH1A1NPC1TP53MAPT
SCHEMBL458516 0.82 ALDH1A1 (0.41) HTTALDH1A1NPC1TP53MAPT
SCHEMBL21678987 0.81 ALDH1A1 (0.50) HTTALDH1A1NPC1TP53MAPT
SCHEMBL8395110 0.81 ALDH1A1 (0.50) HTTALDH1A1NPC1TP53MAPT
SCHEMBL21679019 0.80 MAPT (0.49) HTTALDH1A1NPC1TP53MAPT
SCHEMBL16505656 0.80 MAPT (0.49) HTTALDH1A1NPC1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (US) 2022-11-03 US disclosed
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
EP-3814326-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-05-05 EP disclosed
CN-112513017-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-03-16 CN disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 US disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 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-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP HTT 4123/4885ALDH1A1 1223/4885NPC1 1218/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 HTT 3915/4885ALDH1A1 1247/4885NPC1 830/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP HTT 4123/4885ALDH1A1 1223/4885NPC1 1218/4885

“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.