SCHEMBL6097756

SCHEMBL6097756

Clc1cccc(CN2CCN(c3cccc(OCc4ccncc4)n3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
HTR1A P08908 2/20 0.51
HTR3A P46098 2/20 0.51
CHRM4 P08173 1/20 0.51
ADRB1 P08588 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
FPR3 P25089 1/20 0.51

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
SCHEMBL6100140 0.90 NPC1 (0.59) HTTTSHRALDH1A1KDM4ELMNA
SCHEMBL6099980 0.87 ALDH1A1 (0.61) HTTTSHRALDH1A1KDM4ELMNA
SCHEMBL6100643 0.87 ALDH1A1 (0.56) HTTTSHRALDH1A1KDM4ELMNA
SCHEMBL6931610 0.85 ALDH1A1 (0.59) HTTTSHRALDH1A1KDM4EHTR2B
SCHEMBL6096996 0.85 KDM4E (0.52) HTTTSHRALDH1A1KDM4EHTR2A
SCHEMBL6100319 0.85 HTT (0.49) HTTTSHRALDH1A1KDM4ELMNA
SCHEMBL6099911 0.83 ALDH1A1 (0.47) HTTTSHRALDH1A1KDM4ELMNA
SCHEMBL6100256 0.82 GLP1R (0.53) HTTTSHRALDH1A1KDM4ELMNA
SCHEMBL6099099 0.82 HTT (0.47) HTTTSHRALDH1A1KDM4ELMNA
SCHEMBL6100825 0.82 KDM4E (0.59) HTTTSHRALDH1A1KDM4EHTR2C

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 HTT 675/4885TSHR 164/4885ALDH1A1 1531/4885
US-20030008880-A1 4-(2-Pyridyl) piperizines having 5HT7 receptor agonist activity HTR7, HTR1A, HTR2C HTT 768/4885TSHR 178/4885ALDH1A1 1581/4885

“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.