SCHEMBL1027194

SCHEMBL1027194

CCCN(CCOc1ccc(N)cn1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SSTR4 P31391 1/20 0.35
CHEK2 O96017 1/20 0.35
ACACB O00763 2/20 0.34
ADRB3 P13945 1/20 0.33
KEAP1 Q14145 1/20 0.33
MAPT P10636 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL6764285 0.93 LMNA (0.37) KDM4EPOLBRAB9ASSTR4CHEK2
SCHEMBL4900712 0.92 KDM4E (0.36) KDM4EPOLBRAB9ASSTR4CHEK2
SCHEMBL13408567 0.84 PDK2 (0.42) KDM4EPOLBRAB9ASSTR4CHEK2
SCHEMBL3889926 0.84 MAPT (0.39) KDM4EPOLBRAB9ACHEK2KEAP1
SCHEMBL4890440 0.83 ADRB3 (0.40) KDM4EPOLBRAB9AADRB3CYP1A2
SCHEMBL1027137 0.82 SSTR4 (0.34) KDM4ESSTR4CYP1A2CYP2D6SCN1A
SCHEMBL1032439 0.80 SSTR4 (0.33) POLBSSTR4CYP1A2CYP2D6SCN1A
SCHEMBL6767206 0.79 THRA (0.39) KDM4EPOLBSSTR4MAPTCYP1A2
SCHEMBL16682335 0.77 TDP1 (0.41) KDM4EPOLBRAB9ASSTR4ADRB3
SCHEMBL17403602 0.74 SSTR4 (0.39) KDM4ESSTR4ADRB3HDAC3HDAC1

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
US-8383641-B2 Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-02-26 US disclosed
EP-2013179-B1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-01-19 EP disclosed
US-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-06-04 US disclosed
EP-2013179-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-01-14 EP disclosed
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2008-02-07 US disclosed
WO-2007118859-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
US-7282498-B2 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION (US) 2007-10-16 US disclosed
US-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2005-03-17 US disclosed
US-6743817-B2 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR BRAIN RECEPTORS; ANXIOLYTICS, ANTIDEPRESSANTS, TREATING SLEEP AND PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2004-06-01 US disclosed
US-6656941-B2 Aryl substituted tetrahydroindazoles NEUROGEN CORPORATION 2003-12-02 US disclosed
EP-1326831-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2003-07-16 EP disclosed
EP-1315703-A1 ARYL SUBSTITUTED TETRAHYDROINDAZOLES AND THEIR USE AS LIGANDS FOR THE GABA-A RECEPTOR NEUROGEN CORPORATION (US) 2003-06-04 EP disclosed
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2002-09-12 US disclosed
US-20020055524-A1 Novel aryl substituted tetrahydroindazoles as ligands of the GABA receptor NEUROGEN CORPORATION 2002-05-09 US disclosed
WO-2002020492-A1 ARYL SUBSTITUTED TETRAHYDROINDAZOLES AND THEIR USE AS LIGANDS FOR THE GABA-A RECEPTOR NEUROGEN CORPORATION (US) 2002-03-14 WO disclosed
WO-2002020480-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2002-03-14 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 (5 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-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, DRD3, MC3R KDM4E 2181/4885POLB 4322/4885RAB9A 1686/4885
US-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NPSR1, GABRE, CHRNE KDM4E 986/4885POLB 1781/4885RAB9A 584/4885
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes HTR1A, GABRA1, GABRE KDM4E 876/4885POLB 1532/4885RAB9A 568/4885
US-20020055524-A1 Novel aryl substituted tetrahydroindazoles as ligands of the GABA receptor GABRA1, GABRB1, GABRA3 KDM4E 2203/4885POLB 3754/4885RAB9A 860/4885
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NPSR1, GABRE, CHRNE KDM4E 986/4885POLB 1781/4885RAB9A 584/4885

“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.