SCHEMBL3174255

SCHEMBL3174255

Nc1cc(Cl)cc2c1OCC(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 1/20 0.38
MMP12 P39900 1/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
AHR P35869 2/20 0.38
CMA1 P23946 1/20 0.38
PGR P06401 4/20 0.37
NR3C2 P08235 2/20 0.37
NR3C1 P04150 1/20 0.37
PARP1 P09874 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
DRD4 P21917 2/20 0.34
HTR1A P08908 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL21552373 0.80 PGR (0.45) IL4I1MMP12PDE3BPDE3AAHR
SCHEMBL4480236 0.80 PDE3B (0.41) IL4I1MMP12PDE3BPDE3AAHR
SCHEMBL8082246 0.80 PGR (0.46) IL4I1MMP12PDE3BPDE3APGR
SCHEMBL3600619 0.78 IL4I1 (0.44) IL4I1MMP12PDE3BPDE3APGR
SCHEMBL27519112 0.76 PDE3B (0.41) IL4I1MMP12PDE3BPDE3AAHR
SCHEMBL7281256 0.76 GAA (0.44) IL4I1MMP12PDE3BPDE3AADRB2
SCHEMBL13545333 0.76 MMP12 (0.39) IL4I1MMP12PDE3BPDE3AAHR
SCHEMBL8083106 0.76 ADRB2 (0.38) IL4I1MMP12PDE3BPDE3AAHR
SCHEMBL31731496 0.75 PGR (0.37) IL4I1MMP12PDE3BPDE3AAHR
SCHEMBL252672 0.75 PGR (0.37) IL4I1MMP12PDE3BPDE3AAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184990-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2010-05-19 EP disclosed
EP-2162433-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2010-03-17 EP disclosed
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
US-20100056531-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100056531-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100056531-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 US disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-08-21 US disclosed
US-20080194539-A1 Phenyl Diazepane Carboxamides and Annelated Phenyl Piperazine Carboxamides Containing Oxygen and Used as Dopamine D3 Antagonists SCHWARZ PHARMA AG (DE) 2008-08-14 US disclosed
US-20080194539-A1 Phenyl Diazepane Carboxamides and Annelated Phenyl Piperazine Carboxamides Containing Oxygen and Used as Dopamine D3 Antagonists SCHWARZ PHARMA AG (DE) 2008-08-14 US disclosed
US-20080194539-A1 Phenyl Diazepane Carboxamides and Annelated Phenyl Piperazine Carboxamides Containing Oxygen and Used as Dopamine D3 Antagonists SCHWARZ PHARMA AG (DE) 2008-08-14 US disclosed
EP-1761524-B1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SANOL ARZNEI SCHWARZ GMBH (DE) 2007-11-21 EP disclosed
EP-1761524-B1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SANOL ARZNEI SCHWARZ GMBH (DE) 2007-11-21 EP disclosed
EP-1761524-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2007-03-14 EP disclosed
WO-2006072430-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2006-07-13 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-20100056531-A1 ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3B, HTR1B IL4I1 3781/4885MMP12 4885/4885PDE3B 375/4885
US-20080200471-A1 6' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR1A IL4I1 2799/4885MMP12 4883/4885PDE3B 396/4885
US-20080194539-A1 Phenyl Diazepane Carboxamides and Annelated Phenyl Piperazine Carboxamides Containing Oxygen and Used as Dopamine D3 Antagonists DRD3, DRD2, DRD1 IL4I1 1080/4885MMP12 3216/4885PDE3B 286/4885
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B IL4I1 1915/4885MMP12 4876/4885PDE3B 242/4885

“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.