SCHEMBL6099079

SCHEMBL6099079

CCCCCC(C)N1CCN(c2cccc(OCc3ccncc3)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.37
OGA O60502 2/20 0.36
PTGDR Q13258 1/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 2/20 0.35
ACACB O00763 3/20 0.35
KDM2B Q8NHM5 1/20 0.35
HTR1A P08908 3/20 0.34
DRD3 P35462 2/20 0.34
CHRM4 P08173 1/20 0.34
ADRB1 P08588 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
FPR3 P25089 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1E P28566 1/20 0.34
GPR183 P32249 1/20 0.34

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
SCHEMBL6097963 0.85 HRH3 (0.44) HRH4OGAPTGDRHTR2AHTR2C
SCHEMBL6098986 0.82 DRD3 (0.45) HRH4HTR2AHTR2CHTR1ADRD3
SCHEMBL6100280 0.79 HRH4 (0.44) HRH4HTR2AHTR2CHTR2BHTR1A
SCHEMBL6099758 0.79 HRH3 (0.45) HRH4HTR2AHTR2CHTR2BHTR1A
SCHEMBL6099613 0.79 HRH4 (0.56) HRH4HTR2AHTR2CHTR2BHTR1D
SCHEMBL6099835 0.74 HTR2C (0.55) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL30138420 0.74 HTR2C (0.55) HTR2AHTR2CHTR2BHTR1ADRD3
SCHEMBL6099906 0.74 HRH3 (0.44) HRH4HTR1AHRH3
SCHEMBL6098835 0.73 MAP4K4 (0.48) HRH4HTR2AHTR2CHTR1ADRD3
SCHEMBL6101931 0.73 HTR1A (0.47) HRH4HTR2AHTR2CHTR1ADRD3

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 HRH4 170/4885OGA 4655/4885PTGDR 119/4885
US-20030008880-A1 4-(2-Pyridyl) piperizines having 5HT7 receptor agonist activity HTR7, HTR1A, HTR2C HRH4 145/4885OGA 4511/4885PTGDR 113/4885

“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.