SCHEMBL5166374

SCHEMBL5166374

CN1CCN(c2ncccc2CC2CCCN(c3ccc(C4CCOCC4)cc3)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.38
HRH3 Q9Y5N1 4/20 0.36
FPR2 P25090 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CNR2 P34972 2/20 0.35
CHIA Q9BZP6 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
SCHEMBL5165411 0.95 ROCK2 (0.38) ELANEHRH3EGLN1CNR2CHIA
SCHEMBL5214300 0.88 HRH3 (0.37) HRH3FPR2EGLN1
SCHEMBL5166513 0.86 ELANE (0.41) ELANECHIA
SCHEMBL5809821 0.86 EGLN1 (0.40) HRH3FPR2EGLN1
SCHEMBL5164538 0.86 ELANE (0.36) ELANEEGLN1CNR2CHIA
SCHEMBL5599159 0.84 ELANE (0.35) ELANEEGLN1CNR2CHIA
SCHEMBL5165708 0.84 FPR2 (0.40) ELANEFPR2CHIA
SCHEMBL5163829 0.82 FPR2 (0.41) ELANEFPR2CHIA
SCHEMBL5210531 0.82 HRH3 (0.35) HRH3EGLN1
SCHEMBL22411045 0.81 ELANE (0.36) ELANEFPR2CHIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768975-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Inc. (US) 2007-04-04 EP claimed
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders PFIZER INC 2006-02-02 US claimed
WO-2006000912-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-01-05 WO claimed
EP-1768975-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Inc. (US) 2007-04-04 EP disclosed
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders PFIZER INC 2006-02-02 US disclosed
WO-2006000912-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-01-05 WO 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 (1 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-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders TPH2, HTR1A, TPH1 ELANE 4841/4885HRH3 156/4885FPR2 354/4885

“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.