SCHEMBL3916764

SCHEMBL3916764

COc1cccc(N2CC[N]CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
OGA O60502 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
DRD3 P35462 2/20 0.44
PHGDH O43175 1/20 0.43
HTR2C P28335 1/20 0.41
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
ACACB O00763 1/20 0.39
LCAT P04180 1/20 0.39
C5AR1 P21730 1/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL6529664 0.86 ALOX5 (0.51) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL22547430 0.86 ALOX5 (0.51) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL30770805 0.84 ALOX5 (0.50) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL1275290 0.83 HTR3A (0.62) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL2412819 0.81 HTR3E (0.58) ALOX5OGAHRH3HTR1ADRD3
SCHEMBL13706046 0.81 CYP2C19 (0.58) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL3586961 0.81 PHGDH (0.50) ALOX5OGAHRH3HTR1AHTR2A
Hydrochloric Acid SCHEMBL3849292 0.80 HTR3E (0.57) ALOX5OGAHRH3HTR1ADRD3
SCHEMBL15725480 0.79 HRH3 (0.65) ALOX5OGAHRH3HTR1AHTR2A
SCHEMBL14083328 0.79 OGA (0.47) ALOX5OGAHRH3HTR1AHTR2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP claimed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US claimed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO claimed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO claimed
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US disclosed
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP disclosed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 WO disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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 (4 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS ALOX5 3857/4885OGA 3890/4885HRH3 4521/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 ALOX5 1748/4885OGA 4434/4885HRH3 3113/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ALOX5 3558/4885OGA 3027/4885HRH3 4258/4885
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 ALOX5 831/4885OGA 2895/4885HRH3 1527/4885

“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.