SCHEMBL5344773

SCHEMBL5344773

O=C1CCCC1CN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
OPRD1 P41143 1/20 0.43
HTR2B P41595 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
HSP90AA1 P07900 1/20 0.40
CCR6 P51684 1/20 0.40
GAA P10253 2/20 0.36
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL5593793 0.95 ADRA2A (0.42) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL12949415 0.79 CHRM5 (0.43) ADRA2CKDM4E
Pimeclone SCHEMBL545058 0.78 CHRM5 (0.47) ADRA2CKDM4E
Pimeclone SCHEMBL4551919 0.76 CHRM5 (0.45) ADRA2CKDM4E
SCHEMBL8788671 0.74 ACHE (0.50) GAAALDH1A1HRH3
SCHEMBL12014396 0.73 ADRA2A (0.41) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL19565928 0.71 HSP90AA1 (0.36) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL2182422 0.71 HSP90AA1 (0.62) ADRA2ADRD2ADRA2BADRA2CDRD1
Hydrochloric Acid SCHEMBL19548511 0.70 HSP90AA1 (0.38) ADRA2ADRD2ADRA2BADRA2CDRD1
SCHEMBL11609558 0.69 MGLL (0.45) CYP1A2CYP2C19GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101168530-B 1,4-dioxoquinoxaline formaldehyde dihydrazone with weed control activity and its preparation method and application UNIV HUAZHONG AGRICULTURAL 2011-02-09 CN disclosed
CN-101168530-A 1,4-dioxoquinoxaline formaldehyde dihydrazone with weed control activity and its preparation method and application UNIV HUAZHONG AGRICULTURAL (CN) 2008-04-30 CN disclosed
US-7288650-B2 Cyclic substituted fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2007-10-30 US disclosed
US-7074793-B2 Cyclic substituted fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2006-07-11 US disclosed
US-20060128780-A1 Cyclic substituted fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2006-06-15 US disclosed
US-6841567-B1 Cyclic substituted fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2005-01-11 US disclosed
US-20040186157-A1 Cyclic substituted fused pyrrolocarbazoles and isoindolones CEPHALON, INC. (US) 2004-09-23 US disclosed
CN-1350537-A Cyclic substituted fused pyrrolocarbazoles and isoindolones CEPHALON INC (US) 2002-05-22 CN disclosed
EP-1165562-A1 CYCLIC SUBSTITUTED FUSED PYRROLOCARBAZOLES AND ISOINDOLONES Cephalon, Inc. (US) 2002-01-02 EP disclosed
WO-2000047583-A9 CYCLIC SUBSTITUTED FUSED PYRROLOCARBAZOLES AND ISOINDOLONES CEPHALON INC (US) 2001-09-20 WO disclosed
WO-2000047583-A1 CYCLIC SUBSTITUTED FUSED PYRROLOCARBAZOLES AND ISOINDOLONES CEPHALON, INC. (US) 2000-08-17 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 (2 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-20040186157-A1 Cyclic substituted fused pyrrolocarbazoles and isoindolones PIN1, PAICS, QPCT ADRA2A 4145/4885DRD2 1669/4885ADRA2B 4289/4885
US-20060128780-A1 Cyclic substituted fused pyrrolocarbazoles and isoindolones PIN1, PAICS, QPCT ADRA2A 4145/4885DRD2 1669/4885ADRA2B 4289/4885

“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.