SCHEMBL2903094

SCHEMBL2903094

C[C@@H]1C[C@H](O)CN(CCCN2CCN(C(=O)C=Cc3ccc(F)c(Cl)c3)CCC2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 6/20 0.41
PYGL P06737 2/20 0.40
ITGB2 P05107 3/20 0.40
ICAM1 P05362 3/20 0.40
ITGAL P20701 3/20 0.40
CCR2 P41597 2/20 0.39
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
SCHEMBL2903091 1.00 GPR183 (0.41) GPR183PYGLITGB2ICAM1ITGAL
SCHEMBL2903011 1.00 GPR183 (0.41) GPR183PYGLITGB2ICAM1ITGAL
SCHEMBL2903013 1.00 GPR183 (0.41) GPR183PYGLITGB2ICAM1ITGAL
SCHEMBL2898969 0.98 PYGL (0.42) GPR183PYGLITGB2ICAM1ITGAL
SCHEMBL2898971 0.98 PYGL (0.42) GPR183PYGLITGB2ICAM1ITGAL
SCHEMBL2898974 0.98 PYGL (0.42) GPR183PYGLITGB2ICAM1ITGAL
SCHEMBL2898977 0.98 PYGL (0.42) GPR183PYGLITGB2ICAM1ITGAL
SCHEMBL2904483 0.93 GPR183 (0.46) GPR183PYGLCCR2
SCHEMBL2904481 0.93 GPR183 (0.46) GPR183PYGLCCR2
SCHEMBL2902783 0.92 GPR183 (0.39) GPR183PYGLITGB2ICAM1ITGAL

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 6 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
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US claimed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 US claimed
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
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 GPR183 86/4885PYGL 4706/4885ITGB2 1934/4885

“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.