SCHEMBL5166513

SCHEMBL5166513

CN1CCN(c2ncccc2CC2CCCN(c3ccccc3)C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.41
CHIA Q9BZP6 1/20 0.39
ROCK2 O75116 2/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
CXCR4 P61073 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL5165708 0.89 FPR2 (0.40) ELANECHIA
SCHEMBL5163829 0.88 FPR2 (0.41) ELANECHIAROCK2
SCHEMBL5163786 0.87 LIPE (0.40)
SCHEMBL22411045 0.87 ELANE (0.36) ELANECHIAROCK2MAPTTSHR
SCHEMBL5166374 0.86 ELANE (0.38) ELANECHIA
SCHEMBL5166258 0.86 ELANE (0.36) ELANECHIAROCK2CXCR4DRD2
SCHEMBL5163750 0.86 ELANE (0.36) ELANECHIAROCK2CXCR4DRD2
SCHEMBL5167675 0.85 ELANE (0.35) ELANECHIAROCK2
SCHEMBL5167189 0.84 CYP1A2 (0.42) ELANEROCK2TSHRMAPK1
SCHEMBL5165446 0.83 ELANE (0.39) ELANEROCK2CXCR4

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 4841/4885CHIA 4327/4885ROCK2 769/4885

“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.