SCHEMBL6786225

SCHEMBL6786225

c1cc2c(cc1CN1CCOCC1)OCC(CN1CCOCC1)N2

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
LTA4H P09960 8/20 0.44
HRH3 Q9Y5N1 2/20 0.43
HTT P42858 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
PARP1 P09874 1/20 0.41
NCF1 P14598 1/20 0.41
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1B P35368 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL9701340 0.80 GAA (1.00) GAALTA4HCYP2D6HTR1AADRA2A
SCHEMBL6781442 0.80 LTA4H (0.50) GAALTA4HHTTCYP2D6DRD2
SCHEMBL6782573 0.78 GAA (0.60) GAAHRH3
SCHEMBL6420308 0.75 CYP2D6 (0.50) HRH3HTTCYP2D6DRD2DRD4
SCHEMBL16883442 0.70 CYP2D6 (0.71) GAAHRH3CYP2D6DRD2DRD4
SCHEMBL9187566 0.69 KDM4E (0.63) GAAHRH3CYP2D6DRD2DRD3
SCHEMBL9701616 0.68 GAA (0.77) GAALTA4HHTR1AADRA2AADRA2B
SCHEMBL3628914 0.68 GAA (0.56) GAADRD2DRD3ADRA2AADRA2B
SCHEMBL19500872 0.68 HRH3 (0.58) HRH3HTTCYP2D6PARP1NCF1
SCHEMBL3631937 0.68 GAA (0.56) GAADRD2DRD3ADRA2AADRA2B

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
EP-1299395-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2004-09-15 EP disclosed
US-6673793-B2 N-(4-CHLOROBENZYL)-9-(MORPHOLIN-4-YLMETHYL)-7-OXO-2-(S)-PYRIDIN-2-YL-2,3-DIHYDRO-7H-(1,4) OXAZINO(2,3,4-IJ)QUINOLINE-6-CARBOXAMIDE, FOR EXAMPLE; INHIBITING A VIRAL DNA POLYMERASE; TREATING VIRUSES OF HERPES FAMILY PHARMACIA & UPJOHN CO. 2004-01-06 US disclosed
EP-1299395-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections PHARMACIA & UPJOHN COMPANY 2002-08-01 US disclosed
WO-2002004462-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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 (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-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections ZC3HAV1, RPL5, ZC3HAV1L GAA 590/4885LTA4H 1377/4885HRH3 2381/4885

“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.