SCHEMBL2905258

SCHEMBL2905258

O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(=O)N(CCC2CO2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.46
GPR183 P32249 5/20 0.44
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2899513 0.92 CCR2 (0.45) CCR2GPR183GAA
SCHEMBL2899516 0.92 CCR2 (0.45) CCR2GPR183GAA
SCHEMBL2897449 0.90 CCR2 (0.49) CCR2GPR183ALDH1A1LMNATP53
SCHEMBL4503658 0.86 NPC1 (0.54) CCR2GPR183
SCHEMBL2899065 0.86 NPC1 (0.54) CCR2GPR183
SCHEMBL2896598 0.86 NPC1 (0.54) CCR2GPR183
SCHEMBL2896602 0.86 NPC1 (0.54) CCR2GPR183
SCHEMBL2904482 0.80 CCR2 (0.44) CCR2GPR183ALDH1A1LMNATP53
SCHEMBL2904480 0.80 CCR2 (0.44) CCR2GPR183ALDH1A1LMNATP53
SCHEMBL2903198 0.76 NPC1 (0.56) CCR2GPR183

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-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 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-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 CCR2 8/4885GPR183 86/4885ALDH1A1 2871/4885

“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.