SCHEMBL8778304

SCHEMBL8778304

O=Nc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
HTR3A P46098 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 8/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 4/20 0.47
GAA P10253 3/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL14256915 0.87 ADRA2A (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL822291 0.78 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL140824 0.78 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29648863 0.78 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17399264 0.75 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL881182 0.75 HTR3E (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22387082 0.74 MAPT (0.70) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL1019410 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15500779 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14078649 0.72 ALDH1A1 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442955-B1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE US HEALTH (US) 2021-09-29 EP disclosed
EP-2737927-B1 Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-03-30 EP disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-20080214576-A1 Topoisomerase Inhibitors and Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2008-09-04 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
EP-0645373-B1 Process for the preparation of azoxycyanide compounds SHELL INT RESEARCH (NL) 1997-11-05 EP disclosed
US-5475093-A Process for the preparation of azoxycyanide compounds AMERICAN CYANAMID CO. (US) 1995-12-12 US disclosed
EP-0645373-A1 Process for the preparation of azoxycyanide compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-03-29 EP disclosed
US-5273997-A A 6-azoxy-1,4-benzodioxan derivative SHELL RESEARCH LIMITED (GB) 1993-12-28 US disclosed
EP-0518436-A1 Methylene- and ethylenedioxyphenylazoxycyanide derivatives as fungicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-12-16 EP 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-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 HTR3E 205/4885HTR3B 134/4885HTR3A 74/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 HTR3E 534/4885HTR3B 264/4885HTR3A 180/4885
US-20080214576-A1 Topoisomerase Inhibitors and Prodrugs TOP2A, TOP1, TOP2B HTR3E 3155/4885HTR3B 3424/4885HTR3A 2894/4885

“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.