SCHEMBL6779874

SCHEMBL6779874

CCOC(=O)c1cn2c3c(cc(CN4CCOCC4)cc3c1=O)OCC2c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.49
CNR1 P21554 9/20 0.49
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6779854 0.86 CNR2 (0.47) CNR2CNR1ALDH1A1TSHRKDM4E
SCHEMBL6776971 0.81 ALDH1A1 (0.45) ALDH1A1TSHRRXFP1NPSR1KDM4E
SCHEMBL6694410 0.81 KCNH2 (0.58) CNR2CNR1ALDH1A1
SCHEMBL6413852 0.79 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL6699292 0.74 KCNH2 (0.48) CNR2CNR1ALDH1A1
SCHEMBL7929462 0.73 ALDH1A1 (0.47) ALDH1A1TSHRNPSR1KDM4EHPGD
SCHEMBL6780920 0.73 RXFP1 (0.36) ALDH1A1TSHRRXFP1NPSR1KDM4E
SCHEMBL6709496 0.73 NPSR1 (0.51) ALDH1A1TSHRNPSR1KDM4EHPGD
SCHEMBL7846034 0.73 ALDH1A1 (0.47) ALDH1A1TSHRNPSR1KDM4EHPGD
SCHEMBL6780896 0.72 ALDH1A1 (0.43) ALDH1A1TSHRRXFP1KDM4EHPGD

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 CNR2 4591/4885CNR1 3686/4885ALDH1A1 594/4885

“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.