SCHEMBL6100294

SCHEMBL6100294

Brc1ccccc1CN1CCN(c2cccc(OCc3ccncc3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
CYP2A13 Q16696 1/20 0.40
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
MAPK1 P28482 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6099911 0.87 ALDH1A1 (0.47) KDM4EALDH1A1HTTLMNATSHR
SCHEMBL6097304 0.87 POLB (0.52) KDM4EALDH1A1HTTLMNATSHR
SCHEMBL6100140 0.85 NPC1 (0.59) KDM4EALDH1A1HTTLMNATSHR
SCHEMBL6101716 0.85 GLP1R (0.42) KDM4EALDH1A1HTTLMNATSHR
SCHEMBL6099758 0.81 HRH3 (0.45) KDM4EALDH1A1HTTLMNATSHR
SCHEMBL6096996 0.81 KDM4E (0.52) KDM4EALDH1A1HTTLMNATSHR
SCHEMBL6100280 0.79 HRH4 (0.44) KDM4EALDH1A1HTTLMNATSHR
SCHEMBL6100643 0.79 ALDH1A1 (0.56) KDM4EALDH1A1HTTLMNATSHR
SCHEMBL6099980 0.79 ALDH1A1 (0.61) KDM4EALDH1A1HTTLMNATSHR
SCHEMBL6097756 0.79 HTT (0.52) KDM4EALDH1A1HTTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2733/4885ALDH1A1 1531/4885HTT 675/4885
US-20030008880-A1 4-(2-Pyridyl) piperizines having 5HT7 receptor agonist activity HTR7, HTR1A, HTR2C KDM4E 2817/4885ALDH1A1 1581/4885HTT 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.