SCHEMBL6099216

SCHEMBL6099216

N#CCCN1CCN(c2cccc(OCc3ccncc3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 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
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
DRD3 P35462 2/20 0.38
HTR2C P28335 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL6099408 0.94 HTR1A (0.41) GLP1RHRH4HTTALDH1A1KDM4E
SCHEMBL6100280 0.85 HRH4 (0.44) GLP1RHRH4HTTALDH1A1KDM4E
SCHEMBL6098986 0.83 DRD3 (0.45) HRH4HTR1AHTR2ADRD3HTR2C
SCHEMBL6098835 0.83 MAP4K4 (0.48) GLP1RHRH4HTTALDH1A1KDM4E
SCHEMBL6101931 0.83 HTR1A (0.47) HRH4HTTALDH1A1KDM4ELMNA
SCHEMBL6099758 0.82 HRH3 (0.45) GLP1RHRH4HTTALDH1A1KDM4E
SCHEMBL6099613 0.82 HRH4 (0.56) HRH4ALDH1A1TSHRHTR2AHTR2C
SCHEMBL6100256 0.82 GLP1R (0.53) GLP1RHTTALDH1A1KDM4ELMNA
SCHEMBL6098274 0.81 HRH1 (0.49) HTTALDH1A1KDM4ELMNAHPGD
SCHEMBL6097854 0.81 POLB (0.60) HTTALDH1A1KDM4ELMNAHPGD

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 GLP1R 163/4885HRH4 170/4885HTT 675/4885
US-20030008880-A1 4-(2-Pyridyl) piperizines having 5HT7 receptor agonist activity HTR7, HTR1A, HTR2C GLP1R 187/4885HRH4 145/4885HTT 768/4885

“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.