SCHEMBL5163750

SCHEMBL5163750

CN1CCN(c2ncccc2CC2CCCN(c3ccc(C4(O)CCCC4)cc3)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.36
CHIA Q9BZP6 1/20 0.36
FPR2 P25090 1/20 0.35
ROCK2 O75116 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CXCR4 P61073 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL5166258 0.98 ELANE (0.36) ELANECHIAFPR2ROCK2ALDH1A1
SCHEMBL5164622 0.96 ROCK2 (0.37) ELANECHIAROCK2CXCR4
SCHEMBL5167675 0.86 ELANE (0.35) ELANECHIAFPR2ROCK2
SCHEMBL5166513 0.86 ELANE (0.41) ELANECHIAROCK2CXCR4DRD2
SCHEMBL1737661 0.85 NCF1 (0.38) FPR2ROCK2ALDH1A1LMNADRD2
SCHEMBL1738368 0.85 NCF1 (0.38) FPR2ROCK2ALDH1A1LMNADRD2
SCHEMBL1738815 0.85 NCF1 (0.38) FPR2ROCK2ALDH1A1LMNADRD2
SCHEMBL5163829 0.84 FPR2 (0.41) ELANECHIAFPR2ROCK2
SCHEMBL5165708 0.84 FPR2 (0.40) ELANECHIAFPR2
SCHEMBL22411045 0.83 ELANE (0.36) ELANECHIAFPR2ROCK2ALDH1A1

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 4327/4885FPR2 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.