SCHEMBL5167282

SCHEMBL5167282

CN1CCN(c2ncccc2CC2CCN(c3ccc(-c4cnco4)cc3)C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.44
ROCK2 O75116 7/20 0.42
TRPV1 Q8NER1 1/20 0.38
IMPDH2 P12268 1/20 0.37
ELANE P08246 2/20 0.35
WNT1 P04628 4/20 0.35
GSK3B P49841 4/20 0.35
DYRK1A Q13627 4/20 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
SCHEMBL5167694 0.84 ROCK2 (0.41) ROCK2ELANE
SCHEMBL5163793 0.83 ROCK2 (0.42) ROCK2ELANE
SCHEMBL5166655 0.82 ROCK2 (0.41) ROCK2ELANEGSK3BDYRK1A
SCHEMBL1738628 0.82 JAK3 (0.45) JAK3ROCK2IMPDH2WNT1GSK3B
SCHEMBL5167396 0.81 FPR2 (0.43) ROCK2TRPV1
SCHEMBL5166623 0.81 ROCK2 (0.40) ROCK2TRPV1ELANE
SCHEMBL5165411 0.80 ROCK2 (0.38) ROCK2ELANE
SCHEMBL5163927 0.79 ROCK2 (0.39) ROCK2TRPV1ELANE
SCHEMBL22410981 0.79 ROCK2 (0.38) ROCK2ELANE
SCHEMBL5166513 0.78 ELANE (0.41) ROCK2ELANE

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 JAK3 1566/4885ROCK2 769/4885TRPV1 192/4885

“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.