SCHEMBL6100155

SCHEMBL6100155

c1cc(OCc2ccnc3ccccc23)nc(N2CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.52
ADRB2 P07550 1/20 0.52
HTR2C P28335 5/20 0.45
ADRB1 P08588 3/20 0.45
HTR3A P46098 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
CYP1A2 P05177 2/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTT P42858 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL3104344 0.79 HTR2C (0.57) HTR2CADRB1HTR3AALDH1A1KDM4E
SCHEMBL6097970 0.78 HTR2C (0.47) HTR2CADRB1HTR3AALDH1A1HTR3E
SCHEMBL23384872 0.78 PLD1 (0.56) HTR2CADRB1HTR3AALDH1A1KDM4E
SCHEMBL30138390 0.78 PLD1 (0.56) HTR2CADRB1HTR3AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL31061265 0.78 HTR2C (0.58) HTR2CADRB1HTR3AALDH1A1KDM4E
SCHEMBL29668684 0.77 HTR2C (0.47) HTR2CADRB1HTR3AALDH1A1KDM4E
SCHEMBL29491210 0.77 MEN1 (0.40) NCF1ADRB2HTR1ACYP3A4SLC6A4
SCHEMBL30138420 0.77 HTR2C (0.55) NCF1ADRB2HTR2CADRB1HTR3A
SCHEMBL6099835 0.77 HTR2C (0.55) NCF1ADRB2HTR2CADRB1HTR3A
SCHEMBL24147522 0.75 HTR2A (0.53) HTR2CADRB1HTR3AALDH1A1HTR3E

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 NCF1 4294/4885ADRB2 75/4885HTR2C 3/4885
US-20030008880-A1 4-(2-Pyridyl) piperizines having 5HT7 receptor agonist activity HTR7, HTR1A, HTR2C NCF1 4316/4885ADRB2 73/4885HTR2C 3/4885

“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.