SCHEMBL5167675

SCHEMBL5167675

COC1(c2ccc(N3CCCC(Cc4cccnc4N4CCN(C)CC4)C3=O)cc2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.35
ROCK2 O75116 2/20 0.34
FPR2 P25090 1/20 0.33
CHIA Q9BZP6 1/20 0.33
MALT1 Q9UDY8 1/20 0.33

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 0.88 ELANE (0.36) ELANEROCK2FPR2CHIA
SCHEMBL5813290 0.86 EGLN1 (0.34) ROCK2FPR2
SCHEMBL5163750 0.86 ELANE (0.36) ELANEROCK2FPR2CHIA
SCHEMBL5166513 0.85 ELANE (0.41) ELANEROCK2CHIA
SCHEMBL5165708 0.82 FPR2 (0.40) ELANEFPR2CHIA
SCHEMBL5811064 0.82 EGLN1 (0.35) ROCK2
SCHEMBL5163786 0.82 LIPE (0.40) FPR2
SCHEMBL5164622 0.82 ROCK2 (0.37) ELANEROCK2CHIAMALT1
SCHEMBL1737813 0.81 ROCK2 (0.40) ROCK2
SCHEMBL5163829 0.81 FPR2 (0.41) ELANEROCK2FPR2CHIA

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 4841/4885ROCK2 769/4885FPR2 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.