SCHEMBL6098835

SCHEMBL6098835

COCCN1CCN(c2cccc(OCc3ccncc3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
GLP1R P43220 2/20 0.47
HTR1A P08908 3/20 0.45
HTR2A P28223 2/20 0.45
DRD3 P35462 2/20 0.45
HTR2C P28335 1/20 0.45
ACHE P22303 3/20 0.43
HRH4 Q9H3N8 2/20 0.42
P4HTM Q9NXG6 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 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
SCHEMBL6100280 0.88 HRH4 (0.44) GLP1RHTR1AHTR2ADRD3HTR2C
SCHEMBL6098274 0.87 HRH1 (0.49) HTR1AHTR2ADRD3SLC6A2SLC6A4
SCHEMBL6098986 0.86 DRD3 (0.45) HTR1AHTR2ADRD3HTR2CHRH4
SCHEMBL6099758 0.86 HRH3 (0.45) GLP1RHTR1AHTR2ADRD3HTR2C
SCHEMBL6099613 0.86 HRH4 (0.56) HTR2AHTR2CHRH4SLC6A2ALDH1A1
SCHEMBL6101931 0.84 HTR1A (0.47) HTR1AHTR2ADRD3HTR2CHRH4
SCHEMBL6097814 0.84 HRH3 (0.56) HTR1AHTR2ADRD3KDM4EALDH1A1
SCHEMBL6099216 0.83 GLP1R (0.41) GLP1RHTR1AHTR2ADRD3HTR2C
SCHEMBL6097854 0.82 POLB (0.60) HTR1AHTR2ADRD3HTR2CKDM4E
SCHEMBL6100140 0.81 NPC1 (0.59) HTR1AHRH4KDM4EALDH1A1LMNA

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 MAP4K4 1952/4885GLP1R 163/4885HTR1A 2/4885
US-20030008880-A1 4-(2-Pyridyl) piperizines having 5HT7 receptor agonist activity HTR7, HTR1A, HTR2C MAP4K4 1546/4885GLP1R 187/4885HTR1A 2/4885

“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.