SCHEMBL5164538

SCHEMBL5164538

CN1CCN(c2ncccc2CC2OCCN(c3ccc(C4CCOCC4)cc3)C2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.36
CNR2 P34972 2/20 0.35
TNKS2 Q9H2K2 1/20 0.34
CHIA Q9BZP6 1/20 0.34
DGAT1 O75907 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL5165411 0.88 ROCK2 (0.38) ELANECNR2CHIAEGLN1
SCHEMBL5812938 0.86 EGLN1 (0.36) DGAT1EGLN1
SCHEMBL5166374 0.86 ELANE (0.38) ELANECNR2CHIAEGLN1
SCHEMBL5599159 0.84 ELANE (0.35) ELANECNR2TNKS2CHIAEGLN1
SCHEMBL5592249 0.81 ELANE (0.34) ELANECNR2TNKS2CHIAEGLN1
SCHEMBL5738547 0.81 MEN1 (0.39) SLC6A3
SCHEMBL5740445 0.79 MEN1 (0.44) SLC6A3
SCHEMBL5758903 0.78 MCHR1 (0.38)
SCHEMBL5210531 0.76 HRH3 (0.35) DGAT1EGLN1
SCHEMBL5737828 0.76 NCF1 (0.35) SLC6A3

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 7 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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
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 4841/4885CNR2 17/4885TNKS2 1255/4885

“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.