SCHEMBL5178175

SCHEMBL5178175

CN1CCN(c2ncccc2CC2CCCN(c3ccc(-c4coc(C(C)(C)C)n4)cc3)C2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.36
ROCK2 O75116 3/20 0.35
TLR7 Q9NYK1 1/20 0.33
SYK P43405 3/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 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
SCHEMBL5180557 0.90 ELANE (0.38) ELANEROCK2SYK
SCHEMBL5178983 0.88 ELANE (0.37) ELANEROCK2SYK
SCHEMBL5811828 0.88 ROCK2 (0.32) ROCK2SYKFPR1FPR2
SCHEMBL5166655 0.85 ROCK2 (0.41) ELANEROCK2
SCHEMBL5165708 0.84 FPR2 (0.40) ELANEFPR1FPR2
SCHEMBL5166513 0.81 ELANE (0.41) ELANEROCK2
SCHEMBL5163829 0.81 FPR2 (0.41) ELANEROCK2FPR1FPR2
SCHEMBL5762169 0.80 MCHR1 (0.38) ELANEROCK2
SCHEMBL5165446 0.80 ELANE (0.39) ELANEROCK2
SCHEMBL5163793 0.80 ROCK2 (0.42) ELANEROCK2SYK

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 5 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
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders PFIZER INC 2006-02-02 US 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 769/4885TLR7 1843/4885

“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.