SCHEMBL2899701

SCHEMBL2899701

C[C@@H]1CCN(CCCN2CCN(C(=O)/C=C/c3ccc(F)c(Cl)c3)CCC2=O)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.42
GPR183 P32249 3/20 0.41
PYGL P06737 2/20 0.40
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
GAA P10253 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
SCHEMBL2897076 0.93 CCR2 (0.47) CCR2GPR183PYGL
SCHEMBL2903006 0.93 CCR2 (0.47) CCR2GPR183PYGL
SCHEMBL2899437 0.92 CCR2 (0.42) CCR2GPR183PYGLITGB2ICAM1
SCHEMBL2903001 0.91 CCR2 (0.42) CCR2GPR183PYGLITGB2ICAM1
SCHEMBL2903003 0.91 CCR2 (0.42) CCR2GPR183PYGLITGB2ICAM1
SCHEMBL2902538 0.91 CCR2 (0.47) CCR2GPR183PYGL
SCHEMBL2904597 0.90 CCR2 (0.44) CCR2GPR183PYGLITGB2ICAM1
SCHEMBL2905016 0.90 CCR2 (0.47) CCR2GPR183PYGLITGB2ICAM1
SCHEMBL2905012 0.90 CCR2 (0.47) CCR2GPR183PYGLITGB2ICAM1
SCHEMBL2904491 0.90 CCR2 (0.41) CCR2GPR183PYGLITGB2ICAM1

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 3 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 claimed
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP 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 86/4885PYGL 4706/4885

“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.