SCHEMBL2106928

SCHEMBL2106928

O=C1CCC=C2NCCCC12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
OR51E2 Q9H255 1/20 0.31
CCR2 P41597 1/20 0.31
FKBP5 Q13451 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL28319504 0.85 TLR4 (0.33) TLR4CCR2CRBN
SCHEMBL23152365 0.70
SCHEMBL5175094 0.68 TLR4 (0.50) TLR4
SCHEMBL11443954 0.67 TLR4 (0.58) TLR4
SCHEMBL419917 0.66 CCR2 (0.31) CCR2
SCHEMBL6105380 0.66
SCHEMBL15656974 0.65 MAPT (0.47) TLR4
SCHEMBL8874668 0.64 TLR4 (0.55) TLR4CCR2
SCHEMBL2106927 0.64
SCHEMBL2107059 0.64 ADRA1A (0.44)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105712931-A 7-phenyl-5-oxo-4-substituted-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethyl ester and non-catalyzed synthesis method thereof 山东师范大学 2016-06-29 CN disclosed
CN-105712931-A 7-phenyl-5-oxo-4-substituted-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethyl ester and non-catalyzed synthesis method thereof 山东师范大学 2016-06-29 CN disclosed
US-8163768-B2 4-(4-Hydroxy-3-methyl-phenyl)-2,4,6,7,8,9-hexahydro-pyrazolo[3,4-b]-1,7-naphthyridin-5-one; inhibiting Aurora kinase; inhibiting the proliferation of tumor cells; cancer, psoriasis, leukaemia and lupus AVENTIS PHARMA S.A.. (FR) 2012-04-24 US disclosed
EP-1910366-B1 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2011-08-24 EP disclosed
US-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them AVENTIS PHARMA S.A. (FR) 2008-10-23 US disclosed
EP-1910366-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2008-04-16 EP disclosed
CN-100372839-C Method for preparing bicycloenyl lactan HUADONG SCIENCE & ENGINEERING (CN) 2008-03-05 CN disclosed
WO-2007012972-A2 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2007-02-01 WO disclosed
CN-1830965-A Method for preparing bicycloenyl lactan HUADONG SCIENCE & ENGINEERING (CN) 2006-09-13 CN 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-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them DPYD, DHPS, QDPR TLR4 2245/4885L3MBTL1 4878/4885OR51E2 4242/4885

“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.