SCHEMBL562563

SCHEMBL562563

O=C(NC(CCO)CCO)c1ccc2nonc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
TAS1R3 Q7RTX0 14/20 0.48
TAS1R1 Q7RTX1 14/20 0.48
EPHX2 P34913 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL19496893 0.83 TAS1R3 (0.41) ADORA3ADORA2AADORA2BADORA1TAS1R3
SCHEMBL562820 0.82 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1TAS1R3
SCHEMBL2834465 0.77 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1TAS1R3
SCHEMBL1420530 0.73 ADORA3 (0.57) ADORA3ADORA2AADORA2BADORA1TAS1R3
SCHEMBL13753935 0.73 ADORA3 (0.65) ADORA3ADORA2AADORA2BADORA1TAS1R3
SCHEMBL562187 0.72 ADORA3 (0.41) ADORA3ADORA2AADORA2BADORA1TAS1R3
SCHEMBL19497015 0.72 TAS1R3 (0.40) ADORA3ADORA2AADORA2BADORA1TAS1R3
SCHEMBL4021787 0.72 ADORA3 (0.68) ADORA3ADORA2AADORA2BADORA1TAS1R3
SCHEMBL13248219 0.71 ADORA3 (0.55) ADORA3ADORA2AADORA2BADORA1TAS1R3
SCHEMBL13081990 0.71 ADORA3 (0.62) ADORA3ADORA2AADORA2BADORA1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154970-B1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES RESPIRERX PHARMACEUTICALS INC (US) 2017-10-25 EP disclosed
US-8642633-B2 Di-substituted amides for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-20130137733-A1 Di-Substituted Amides for Enhancing Glutamatergic Synaptic Responses CORTEX PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8404682-B2 Di-substituted amides for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20120035173-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES RESPIRERX PHARMACEUTICALS INC 2012-02-09 US disclosed
US-8013003-B2 Di-substituted amides for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-20100120764-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES RESPIRERX PHARMACEUTICALS INC 2010-05-13 US disclosed
EP-2154970-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-02-24 EP disclosed
WO-2008143963-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2008-11-27 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 (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-20120035173-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES GRIN2A, GRIN2B, SLC18A2 ADORA3 140/4885ADORA2A 110/4885ADORA2B 122/4885
US-20100120764-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES DRD2, DRD3, GAP43 ADORA3 284/4885ADORA2A 396/4885ADORA2B 810/4885
US-20130137733-A1 Di-Substituted Amides for Enhancing Glutamatergic Synaptic Responses DRD2, DRD3, GAP43 ADORA3 284/4885ADORA2A 396/4885ADORA2B 810/4885

“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.