SCHEMBL2691392

SCHEMBL2691392

CNCC(O)c1ccc(O)c(ON)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
HIF1A Q16665 7/20 0.66
TDP1 Q9NUW8 6/20 0.66
ADRB2 P07550 6/20 0.66
TSHR P16473 5/20 0.66
MAPT P10636 4/20 0.66
HSD17B10 Q99714 4/20 0.66
ADRB1 P08588 4/20 0.66
ADRB3 P13945 4/20 0.66
ALDH1A1 P00352 4/20 0.66
CYP3A4 P08684 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ADRA2A P08913 3/20 0.66
ADRA2B P18089 3/20 0.66
ADRA2C P18825 3/20 0.66
CYP1A2 P05177 3/20 0.66
DRD1 P21728 2/20 0.66
ADRA1A P35348 2/20 0.66
ADRA1B P35368 2/20 0.66

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
Racepinephrine SCHEMBL28243157 0.86 ADRB2 (0.68) KDM4EHIF1ATDP1ADRB2TSHR
Metanephrine SCHEMBL29569242 0.86 SLC22A3 (0.73) KDM4EHIF1ATDP1ADRB2TSHR
Metanephrine SCHEMBL136702 0.86 SLC22A3 (0.73) KDM4EHIF1ATDP1ADRB2TSHR
SCHEMBL11647079 0.86 KDM4E (0.68) KDM4EHIF1ATDP1ADRB2TSHR
Metanephrine SCHEMBL30512034 0.86 SLC22A3 (0.73) KDM4EHIF1ATDP1ADRB2TSHR
Metanephrine SCHEMBL2471378 0.84 SLC22A3 (0.71) KDM4EHIF1ATDP1ADRB2TSHR
SCHEMBL4847802 0.83 KDM4E (0.64) KDM4EHIF1ATDP1ADRB2TSHR
SCHEMBL9435060 0.83 KDM4E (0.64) KDM4EHIF1ATDP1ADRB2TSHR
Metanephrine SCHEMBL2771744 0.82 NFKB1 (0.81) KDM4EHIF1ATDP1ADRB2TSHR
SCHEMBL344950 0.82 KDM4E (0.62) KDM4EHIF1ATDP1ADRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2013-05-16 US disclosed
US-8168635-B2 2-(aminomethyl)-5-phenyltetrahydrofuran; 4-(3,4-Dimethoxyphenyl)-2-[5-(2-{5-[2-(5-fluoro-2-methoxyphenyl)-ethyl]-tetrahydrofuran-2-yl}-ethylamino)-pentyl]-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; dual inhibitor of serotonin reuptake and phosphodiesterase 4 (PDE4) enzyme activity HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-20090311795-A1 BILATERAL CONTROL OF FUNCTIONS TRADITIONALLY REGULATED BY ONLY SEROTONIN OR ONLY DOPAMINE Vidas, Arrett & Steinkraus, P.A. 2009-12-17 US disclosed
WO-2009152426-A1 BILATERAL CONTROL OF FUNCTIONS TRADITIONALLY REGULATED BY ONLY SEROTONIN OR ONLY DOPAMINE HINZ MARTIN (US) 2009-12-17 WO disclosed
US-20080261967-A1 Modulators of Central Nervous System Neurotransmitters HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2008-10-23 US disclosed
EP-1771435-A4 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RES INST (US) 2008-02-13 EP disclosed
EP-1771435-A2 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS Human Biomolecular Research Institute (US) 2007-04-11 EP disclosed
WO-2006025920-A2 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2006-03-09 WO disclosed
US-4097586-A Immunochemical assay method BIOLOGICAL DEVELOPMENTS, INC. (US) 1978-06-27 US disclosed
US-3940475-A Radioimmune method of assaying quantitatively for a hapten BIOLOGICAL DEVELOPMENTS, INC. (US) 1976-02-24 US 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-20080261967-A1 Modulators of Central Nervous System Neurotransmitters GAP43, SLC18A2, CHRNA6 KDM4E 4276/4885HIF1A 3722/4885TDP1 1124/4885
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS GAP43, SLC18A2, CHRNA6 KDM4E 4276/4885HIF1A 3722/4885TDP1 1124/4885

“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.