SCHEMBL5167189

SCHEMBL5167189

Cc1noc(C)c1-c1ccc(N2CCCC(Cc3cccnc3N3CCN(C)CC3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
HIF1A Q16665 1/20 0.42
USP2 O75604 1/20 0.40
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 2/20 0.38
BRD4 O60885 5/20 0.37
CYP2C9 P11712 1/20 0.37
ELANE P08246 2/20 0.36
SLC9A3 P48764 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 2/20 0.35
PDE10A Q9Y233 2/20 0.35
GPR84 Q9NQS5 1/20 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
SCHEMBL5820989 0.87 CYP1A2 (0.40) CYP1A2ALDH1A1TSHRCYP3A4LMNA
SCHEMBL5165446 0.84 ELANE (0.39) ELANEROCK2
SCHEMBL5166513 0.84 ELANE (0.41) TSHRMAPK1ELANEROCK2
SCHEMBL5180557 0.83 ELANE (0.38) LMNAELANEROCK2
SCHEMBL5165708 0.82 FPR2 (0.40) ELANE
SCHEMBL5166374 0.80 ELANE (0.38) ELANE
SCHEMBL5163829 0.80 FPR2 (0.41) ELANEROCK2
SCHEMBL5178983 0.80 ELANE (0.37) ELANEROCK2
SCHEMBL22411045 0.79 ELANE (0.36) ALDH1A1TSHRLMNAELANEROCK2
SCHEMBL5163786 0.79 LIPE (0.40)

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 CYP1A2 45/4885ALDH1A1 383/4885TSHR 1250/4885

“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.