SCHEMBL5163829

SCHEMBL5163829

CN1CCN(c2ncccc2CC2CCCN(c3ccc(C(C)(C)O)cc3)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.41
ELANE P08246 7/20 0.39
FPR1 P21462 2/20 0.37
CHIA Q9BZP6 1/20 0.37
SSTR4 P31391 1/20 0.36
ROCK2 O75116 1/20 0.34
UGCG Q16739 1/20 0.34

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
SCHEMBL5163927 0.94 ROCK2 (0.39) FPR2ELANECHIASSTR4ROCK2
SCHEMBL5165708 0.93 FPR2 (0.40) FPR2ELANEFPR1CHIA
SCHEMBL5166513 0.88 ELANE (0.41) ELANECHIAROCK2
SCHEMBL5166623 0.87 ROCK2 (0.40) ELANECHIAROCK2
SCHEMBL5167396 0.85 FPR2 (0.43) FPR2FPR1ROCK2
SCHEMBL1737767 0.85 FPR2 (0.43) FPR2FPR1ROCK2
SCHEMBL1740165 0.85 FPR2 (0.43) FPR2FPR1ROCK2
SCHEMBL1738321 0.85 FPR2 (0.43) FPR2FPR1ROCK2
SCHEMBL22411045 0.85 ELANE (0.36) FPR2ELANEFPR1CHIAROCK2
SCHEMBL5163786 0.85 LIPE (0.40) FPR2

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 FPR2 354/4885ELANE 4841/4885FPR1 451/4885

“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.