SCHEMBL3147203

SCHEMBL3147203

CN1CCN(c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.83
HTR6 P50406 12/20 0.66
MAPT P10636 6/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
HTT P42858 1/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTR2A P28223 1/20 0.58

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
SCHEMBL1847175 0.91 SIRT6 (1.00) SIRT6HTR6MAPTCYP1A2CYP3A4
SCHEMBL31361985 0.89 MAPT (0.82) SIRT6HTR6MAPTCYP1A2CYP3A4
SCHEMBL2481061 0.82 MAPT (0.86) SIRT6HTR6MAPTCYP1A2CYP3A4
SCHEMBL992901 0.81 PKM (0.66) SIRT6MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL2483723 0.80 HTR6 (1.00) SIRT6HTR6MAPTCYP1A2CYP3A4
SCHEMBL2481736 0.80 HTR6 (1.00) SIRT6HTR6MAPTCYP1A2CYP3A4
SCHEMBL2480858 0.80 HTR6 (1.00) SIRT6HTR6MAPTCYP1A2CYP3A4
SCHEMBL16489558 0.79 SIRT6 (0.68) SIRT6HTR6MAPTCYP1A2CYP3A4
SCHEMBL2484016 0.78 SIRT6 (0.77) SIRT6HTR6MAPTCYP1A2CYP3A4
SCHEMBL2483679 0.78 HTR6 (1.00) SIRT6HTR6MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101142201-A Substituted phenyl-piperazine compounds, their preparation and use in medicaments ESTEVE LABOR DR (ES) 2008-03-12 CN claimed
EP-1844031-A1 SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-17 EP claimed
EP-1695971-A1 Substituted phenyl-piperazine compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-30 EP claimed
WO-2006069807-A1 SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO claimed
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
CN-101563106-A Combination of nmda- receptor ligand and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-10-21 CN disclosed
CN-101500611-A Combination of a cholinesterase inhibitor and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-08-05 CN 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-20090042904-A1 Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-02-12 US disclosed
US-20090042904-A1 Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-02-12 US disclosed
US-20090042904-A1 Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-02-12 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
CN-101142201-A Substituted phenyl-piperazine compounds, their preparation and use in medicaments ESTEVE LABOR DR (ES) 2008-03-12 CN 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-1844031-A1 SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-17 EP disclosed
EP-1695971-A1 Substituted phenyl-piperazine compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-08-30 EP disclosed
WO-2006069807-A1 SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 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 (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 SIRT6 446/4885HTR6 1/4885MAPT 1416/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A SIRT6 1315/4885HTR6 4/4885MAPT 1966/4885
US-20090042904-A1 Substituted Phenly-Piperazine Compounds, Their Preparation And Use In Medicaments HTR6, HTR5A, HTR7 SIRT6 270/4885HTR6 1/4885MAPT 2541/4885

“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.