SCHEMBL1765026

SCHEMBL1765026

O=C1CN(C(=O)c2cc(-c3cccc(OCCCO)c3)n(-c3cccc(Cl)c3)n2)CN1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 1/20 0.49
SLC5A1 P13866 12/20 0.42
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
PPP1CA P62136 1/20 0.41
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
MCTS1 Q9ULC4 1/20 0.40
MGLL Q99685 2/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40

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
SCHEMBL1765285 0.97 CCKAR (0.50) CCKARSLC5A1PTGS2PTGS1PPP1CA
SCHEMBL12597357 0.93 CCKAR (0.48) CCKARSLC5A1PTGS2PTGS1PPP1CA
SCHEMBL13695563 0.91 CCKAR (0.47) CCKARSLC5A1PTGS2PTGS1PPP1CA
SCHEMBL12597283 0.91 CCKAR (0.49) CCKARSLC5A1PTGS2PTGS1PPP1CA
SCHEMBL1765447 0.91 CCKAR (0.52) CCKARSLC5A1PTGS2PTGS1PPP1CA
SCHEMBL12649254 0.90 CCKAR (0.48) CCKARSLC5A1PTGS2SLC16A3SLC16A1
SCHEMBL12597312 0.90 CCKAR (0.48) CCKARSLC5A1PTGS2PTGS1
Formic Acid SCHEMBL1764985 0.90 CCKAR (0.46) CCKARSLC5A1PTGS2PTGS1PPP1CA
SCHEMBL1765432 0.90 CCKAR (0.48) CCKARSLC5A1PTGS2PTGS1PPP1CA
SCHEMBL12597289 0.90 CCKAR (0.48) CCKARPTGS2

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
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO CCKAR 4827/4885SLC5A1 2409/4885PTGS2 3497/4885

“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.