SCHEMBL2482884

SCHEMBL2482884

O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 1.00
MAPT P10636 12/20 0.71
POLB P06746 2/20 0.71
LMNA P02545 2/20 0.71
RECQL P46063 1/20 0.71
BLM P54132 1/20 0.71
ALDH1A1 P00352 5/20 0.68
HTT P42858 4/20 0.68
GAA P10253 3/20 0.68
CYP1A2 P05177 4/20 0.64
CYP2C19 P33261 4/20 0.64
CYP2C9 P11712 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
CYP3A4 P08684 1/20 0.64
SIRT6 Q8N6T7 1/20 0.60

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
SCHEMBL1748540 0.91 HTR6 (0.84) HTR6MAPTPOLBLMNARECQL
Hydrochloric Acid SCHEMBL1748572 0.90 HTR6 (0.82) HTR6MAPTPOLBLMNARECQL
SCHEMBL1844704 0.89 HTR6 (1.00) HTR6MAPTPOLBALDH1A1HTT
SCHEMBL475688 0.88 HTR6 (0.79) HTR6MAPTPOLBLMNARECQL
Hydrochloric Acid SCHEMBL1748431 0.87 HTR6 (0.77) HTR6MAPTPOLBLMNARECQL
SCHEMBL2762525 0.87 HTR6 (0.77) HTR6MAPTPOLBLMNARECQL
SCHEMBL2480858 0.87 HTR6 (1.00) HTR6MAPTPOLBLMNARECQL
SCHEMBL1847428 0.83 MAPT (0.81) HTR6MAPTPOLBLMNARECQL
SCHEMBL8299983 0.83 MAPT (1.00) HTR6MAPTPOLBLMNARECQL
SCHEMBL2484500 0.82 HTR6 (1.00) HTR6MAPTPOLBLMNAALDH1A1

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 1/4885MAPT 1416/4885POLB 4092/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A HTR6 4/4885MAPT 1966/4885POLB 4722/4885
US-20080176854-A1 Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments HTR6, HTR5A, P2RX5 HTR6 1/4885MAPT 3000/4885POLB 3085/4885

“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.