SCHEMBL5163793

SCHEMBL5163793

CN1CCN(c2ncccc2CC2CCN(c3ccc(-c4cocn4)cc3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.42
ELANE P08246 2/20 0.36
CHIA Q9BZP6 1/20 0.34
METAP2 P50579 1/20 0.33
P2RX3 P56373 1/20 0.33
SYK P43405 1/20 0.33
SCN2A Q99250 1/20 0.32
SCN10A Q9Y5Y9 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
SCHEMBL5166655 0.86 ROCK2 (0.41) ROCK2ELANEP2RX3
SCHEMBL5167282 0.83 JAK3 (0.44) ROCK2ELANE
SCHEMBL5167396 0.83 FPR2 (0.43) ROCK2
SCHEMBL5167694 0.83 ROCK2 (0.41) ROCK2ELANECHIA
SCHEMBL1738788 0.82 ROCK2 (0.41) ROCK2
SCHEMBL5166623 0.82 ROCK2 (0.40) ROCK2ELANECHIA
SCHEMBL5180557 0.81 ELANE (0.38) ROCK2ELANEP2RX3SYK
SCHEMBL5806927 0.81 ROCK2 (0.34) ROCK2SYK
SCHEMBL5165411 0.80 ROCK2 (0.38) ROCK2ELANECHIAP2RX3
SCHEMBL5178983 0.80 ELANE (0.37) ROCK2ELANESYK

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 769/4885ELANE 4841/4885CHIA 4327/4885

“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.