SCHEMBL2484500

SCHEMBL2484500

O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCOc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 1.00
KMT2A Q03164 3/20 0.72
MAPT P10636 11/20 0.67
POLB P06746 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
ALDH1A1 P00352 2/20 0.66
MAPK1 P28482 2/20 0.66
TDP1 Q9NUW8 2/20 0.64
MEN1 O00255 1/20 0.64
HPGD P15428 1/20 0.64
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.58
PKM P14618 1/20 0.56

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
SCHEMBL2485838 0.90 HTR6 (1.00) HTR6KMT2AMAPTPOLBNPSR1
SCHEMBL2482149 0.88 HTR6 (0.83) HTR6KMT2AMAPTPOLBALDH1A1
SCHEMBL16211116 0.87 MAPT (0.83) HTR6KMT2AMAPTPOLBNPSR1
SCHEMBL2484035 0.83 KMT2A (1.00) HTR6KMT2AMAPTPOLBNPSR1
SCHEMBL2482884 0.82 HTR6 (1.00) HTR6MAPTPOLBNPSR1ALDH1A1
SCHEMBL2482987 0.80 MAPT (1.00) HTR6KMT2AMAPTPOLBNPSR1
SCHEMBL2483585 0.79 HTR6 (1.00) HTR6KMT2AMAPTPOLBALDH1A1
SCHEMBL1748540 0.78 HTR6 (0.84) HTR6MAPTPOLBNPSR1ALDH1A1
SCHEMBL5273517 0.78 HTR6 (0.79) HTR6MAPTPOLBNPSR1ALDH1A1
SCHEMBL13928891 0.78 HTR6 (0.83) HTR6KMT2AMAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851210-B1 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2011-10-19 EP claimed
US-20080176854-A1 Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2008-07-24 US claimed
EP-1851210-A2 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-07 EP claimed
WO-2006069808-A2 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO claimed
EP-1676842-A1 Nitro-substituted phenyl-piperazine compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-05 EP claimed
EP-1851210-B1 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2011-10-19 EP disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
EP-2081600-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-29 EP disclosed
EP-2040755-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-01 EP disclosed
US-20080176854-A1 Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2008-07-24 US disclosed
WO-2008034815-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-27 WO disclosed
EP-1902733-A1 Combination of a NMDA-receptor ligand and a compound with 5-HT6 receptor affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-26 EP disclosed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO disclosed
EP-1851210-A2 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-07 EP disclosed
WO-2006069808-A2 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO disclosed
EP-1676842-A1 Nitro-substituted phenyl-piperazine compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-05 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-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE HTR6 1/4885KMT2A 1698/4885MAPT 1416/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A HTR6 4/4885KMT2A 1202/4885MAPT 1966/4885
US-20080176854-A1 Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments HTR6, HTR5A, P2RX5 HTR6 1/4885KMT2A 2718/4885MAPT 3000/4885

“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.