SCHEMBL6101931

SCHEMBL6101931

OCCCN1CCN(c2cccc(OCc3ccncc3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.47
HTR2A P28223 3/20 0.47
DRD3 P35462 3/20 0.47
HTR2C P28335 1/20 0.47
POLB P06746 1/20 0.42
HRH1 P35367 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
KCNH2 Q12809 2/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL6098986 0.89 DRD3 (0.45) HTR1AHTR2ADRD3HTR2CPOLB
SCHEMBL6097854 0.87 POLB (0.60) HTR1AHTR2ADRD3HTR2CPOLB
SCHEMBL6100280 0.86 HRH4 (0.44) HTR1AHTR2ADRD3HTR2CHRH4
SCHEMBL6099408 0.86 HTR1A (0.41) HTR1AHTR2ADRD3HTR2CPOLB
SCHEMBL6097814 0.86 HRH3 (0.56) HTR1AHTR2ADRD3HRH1HRH3
SCHEMBL6098835 0.84 MAP4K4 (0.48) HTR1AHTR2ADRD3HTR2CHRH4
SCHEMBL6099758 0.83 HRH3 (0.45) HTR1AHTR2ADRD3HTR2CHRH1
SCHEMBL6099216 0.83 GLP1R (0.41) HTR1AHTR2ADRD3HTR2CPOLB
SCHEMBL6099613 0.83 HRH4 (0.56) HTR2AHTR2CHRH3HRH4ALDH1A1
SCHEMBL6098274 0.82 HRH1 (0.49) HTR1AHTR2ADRD3HRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7009051-B2 4-(2-pyridyl) piperazines having 5HT7 receptor agonist activity PFIZER INC (US) 2006-03-07 US claimed
US-20040014769-A1 4-(2-Pyridyl)piperazines having 5HT7 receptor agonist activity PFIZER INC. 2004-01-22 US claimed
EP-1254905-B1 4-(2-Pyridyl)piperazines having 5HT7 receptor agonist activity PFIZER PROD INC (US) 2003-12-17 EP claimed
US-20030008880-A1 4-(2-Pyridyl) piperizines having 5HT7 receptor agonist activity PFIZER INC. 2003-01-09 US claimed
EP-1254905-A1 4-(2-Pyridyl)piperazines having 5HT7 receptor agonist activity Pfizer Products Inc. (US) 2002-11-06 EP claimed
US-7009051-B2 4-(2-pyridyl) piperazines having 5HT7 receptor agonist activity PFIZER INC (US) 2006-03-07 US disclosed
US-20040014769-A1 4-(2-Pyridyl)piperazines having 5HT7 receptor agonist activity PFIZER INC. 2004-01-22 US disclosed
EP-1254905-B1 4-(2-Pyridyl)piperazines having 5HT7 receptor agonist activity PFIZER PROD INC (US) 2003-12-17 EP disclosed
US-20030008880-A1 4-(2-Pyridyl) piperizines having 5HT7 receptor agonist activity PFIZER INC. 2003-01-09 US disclosed
EP-1254905-A1 4-(2-Pyridyl)piperazines having 5HT7 receptor agonist activity Pfizer Products Inc. (US) 2002-11-06 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 (2 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-20040014769-A1 4-(2-Pyridyl)piperazines having 5HT7 receptor agonist activity HTR7, HTR1A, HTR2C HTR1A 2/4885HTR2A 11/4885DRD3 91/4885
US-20030008880-A1 4-(2-Pyridyl) piperizines having 5HT7 receptor agonist activity HTR7, HTR1A, HTR2C HTR1A 2/4885HTR2A 11/4885DRD3 83/4885

“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.