SCHEMBL5166529

SCHEMBL5166529

CN1CCN(c2ncccc2CC2CCNC2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.43
ELANE P08246 4/20 0.42
ALK Q9UM73 1/20 0.39
HRH4 Q9H3N8 5/20 0.39
HTR3A P46098 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL5932074 0.93 ELANE (0.43) CHIAELANEHRH4HTR3A
SCHEMBL1737562 0.81 NCF1 (0.46) ALK
SCHEMBL4732267 0.81 NCF1 (0.46) ALK
SCHEMBL5611262 0.81 NCF1 (0.46) ALK
SCHEMBL4480301 0.78 NCF1 (0.54)
SCHEMBL25925455 0.76 CHIA (0.58) CHIAELANEHRH4HTR3AHTR3E
SCHEMBL5166513 0.76 ELANE (0.41) CHIAELANEHRH4
SCHEMBL5210878 0.75 HRH4 (0.34) CHIAELANEHRH4HTR3A
SCHEMBL4477924 0.75 NCF1 (0.47)
SCHEMBL5813092 0.74 CXCR4 (0.37) CHIA

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 3 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 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 CHIA 4327/4885ELANE 4841/4885ALK 2832/4885

“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.