SCHEMBL3148549

SCHEMBL3148549

CN1CCC(c2nn(C(N)=O)c3cc[c]cc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.34
HTR1F P30939 3/20 0.33
HTR1A P08908 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CNR1 P21554 3/20 0.31
PARP2 Q9UGN5 1/20 0.31
CYP2D6 P10635 1/20 0.30
SYK P43405 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL15515604 0.72 GRM4 (0.36) CNR1
SCHEMBL16927762 0.72 PDGFRA (0.37)
SCHEMBL2931949 0.72 GSK3B (0.40) PARP1HTR1FHTR1AHDAC3HDAC1
SCHEMBL4225786 0.71 PTGER1 (0.33) PARP1
SCHEMBL10499583 0.71 ELANE (0.44) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4226046 0.71 ELANE (0.31)
Hydrochloric Acid SCHEMBL10395957 0.70 ELANE (0.43) PARP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4215844 0.70 ELANE (0.31)
SCHEMBL10395836 0.69 ELANE (0.49) CYP2D6SYK
SCHEMBL4228519 0.69 ELANE (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US claimed
EP-2020230-A1 Combination of at least two 5-HT6-Ligands Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 EP claimed
WO-2009013010-A2 5HT6-LIGANDS SUCH AS SULFONAMIDE DERIVATIVES IN DRUG- INDUCED WEIGHT-GAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-01-29 WO claimed
EP-2018861-A1 5HT6-Ligands such as sulfonamide derivatives in drug-induced weight-gain Laboratorios del Dr. Esteve S.A. (ES) 2009-01-28 EP claimed
US-20090005417-A1 Substituted Indazolyl Sulfonamide and 2,3-Dihydro-Indolyl Sulfonamide Compounds, their Preparation and Use in Medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-01-01 US claimed
EP-1869002-A1 SUBSTITUTED INDAZOLYL SULFONAMIDE AND 2,3-DIHYDRO-INDOLYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-26 EP claimed
WO-2006069809-A1 SUBSTITUTED INDAZOLYL SULFONAMIDE AND 2,3-DIHYDRO-INDOLYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO claimed
EP-1676841-A1 Substitited indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds, their prepartion and use in medicaments Esteve Laboratorios Dr. Esteve S.A. (ES) 2006-07-05 EP claimed
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
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 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
EP-2020230-A1 Combination of at least two 5-HT6-Ligands Laboratorios del Dr. Esteve S.A. (ES) 2009-02-04 EP disclosed
WO-2009013010-A2 5HT6-LIGANDS SUCH AS SULFONAMIDE DERIVATIVES IN DRUG- INDUCED WEIGHT-GAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-01-29 WO 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-1869002-A1 SUBSTITUTED INDAZOLYL SULFONAMIDE AND 2,3-DIHYDRO-INDOLYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-26 EP disclosed
WO-2006069809-A1 SUBSTITUTED INDAZOLYL SULFONAMIDE AND 2,3-DIHYDRO-INDOLYL SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO disclosed
EP-1676841-A1 Substitited indazolyl sulfonamide and 2,3-dihydro-indolyl sulfonamide compounds, their prepartion and use in medicaments Esteve Laboratorios 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-20090264457-A1 Combination of at least two 5HT6-Ligands HTR6, HTR3B, HTR4 PARP1 2150/4885HTR1F 16/4885HTR1A 8/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A PARP1 2059/4885HTR1F 34/4885HTR1A 20/4885
US-20090005417-A1 Substituted Indazolyl Sulfonamide and 2,3-Dihydro-Indolyl Sulfonamide Compounds, their Preparation and Use in Medicaments HTR6, TPH2, HTR5A PARP1 4388/4885HTR1F 18/4885HTR1A 11/4885

“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.