SCHEMBL6100140

SCHEMBL6100140

c1ccc(CN2CCN(c3cccc(OCc4ccncc4)n3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
HTT P42858 3/20 0.59
RAB9A P51151 3/20 0.59
MAPT P10636 1/20 0.59
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 2/20 0.57
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR1A P08908 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 2/20 0.48
CASP5 P51878 2/20 0.48

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
SCHEMBL6097756 0.90 HTT (0.52) NPC1HTTRAB9AMAPTALDH1A1
SCHEMBL6096996 0.90 KDM4E (0.52) NPC1HTTRAB9AMAPTALDH1A1
SCHEMBL6099980 0.88 ALDH1A1 (0.61) NPC1HTTRAB9AMAPTALDH1A1
SCHEMBL6100643 0.88 ALDH1A1 (0.56) NPC1HTTRAB9AMAPTALDH1A1
SCHEMBL6099911 0.88 ALDH1A1 (0.47) NPC1HTTRAB9AMAPTALDH1A1
SCHEMBL6100256 0.87 GLP1R (0.53) NPC1HTTRAB9AMAPTALDH1A1
SCHEMBL6099099 0.87 HTT (0.47) NPC1HTTRAB9AMAPTALDH1A1
SCHEMBL6097854 0.86 POLB (0.60) HTTALDH1A1KDM4ELMNATSHR
SCHEMBL6931610 0.86 ALDH1A1 (0.59) NPC1HTTRAB9AMAPTALDH1A1
SCHEMBL6100294 0.85 KDM4E (0.44) NPC1HTTRAB9AMAPTALDH1A1

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 NPC1 2819/4885HTT 675/4885RAB9A 2502/4885
US-20030008880-A1 4-(2-Pyridyl) piperizines having 5HT7 receptor agonist activity HTR7, HTR1A, HTR2C NPC1 2899/4885HTT 768/4885RAB9A 2114/4885

“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.