SCHEMBL5164622

SCHEMBL5164622

CN1CCN(c2ncccc2CC2CCN(c3ccc(C4(O)CCCC4)cc3)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.37
CHIA Q9BZP6 1/20 0.36
ELANE P08246 2/20 0.35
CXCR4 P61073 1/20 0.32
MALT1 Q9UDY8 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
SCHEMBL5163750 0.96 ELANE (0.36) ROCK2CHIAELANECXCR4
SCHEMBL5166258 0.94 ELANE (0.36) ROCK2CHIAELANECXCR4
SCHEMBL5809897 0.86 EGLN1 (0.35) ROCK2CXCR4
SCHEMBL1737234 0.85 ROCK2 (0.39) ROCK2
SCHEMBL1738621 0.85 ROCK2 (0.39) ROCK2
SCHEMBL1737818 0.85 ROCK2 (0.39) ROCK2
SCHEMBL1737745 0.84 ROCK2 (0.39) ROCK2
SCHEMBL1737744 0.84 ROCK2 (0.39) ROCK2
SCHEMBL1738393 0.84 ROCK2 (0.39) ROCK2
SCHEMBL5592384 0.83 CHIA (0.35) CHIAELANE

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 ROCK2 769/4885CHIA 4327/4885ELANE 4841/4885

“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.