SCHEMBL2486975

SCHEMBL2486975

Cc1ccccc1OCCNc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 1.00
MAPT P10636 12/20 0.84
HTT P42858 3/20 0.84
SMN1; SMN2 Q16637 3/20 0.84
ALDH1A1 P00352 3/20 0.84
MAPK1 P28482 4/20 0.81
LMNA P02545 3/20 0.81
HPGD P15428 2/20 0.81
TP53 P04637 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
NPSR1 Q6W5P4 2/20 0.81
POLB P06746 2/20 0.81
KMT2A Q03164 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.68
SIRT6 Q8N6T7 1/20 0.62
GAA P10253 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
SCHEMBL2484498 0.90 HTR6 (1.00) HTR6MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL2482987 0.89 MAPT (1.00) HTR6MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL13928891 0.87 HTR6 (0.83) HTR6MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL2482188 0.83 MAPT (1.00) HTR6MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL2483585 0.82 HTR6 (1.00) HTR6MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL2482389 0.82 MAPT (0.84) HTR6MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL2482149 0.81 HTR6 (0.83) HTR6MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL2481734 0.80 HTR6 (1.00) HTR6MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL2483723 0.79 HTR6 (1.00) HTR6MAPTHTTMAPK1NPSR1
SCHEMBL2485795 0.78 HTR6 (0.71) HTR6MAPTMAPK1L3MBTL1SIRT6

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 1416/4885HTT 1505/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A HTR6 4/4885MAPT 1966/4885HTT 859/4885
US-20080176854-A1 Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments HTR6, HTR5A, P2RX5 HTR6 1/4885MAPT 3000/4885HTT 1731/4885

“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.