SCHEMBL15032047

SCHEMBL15032047

Cc1c(C(=O)N2CCC(N3C[C@H]4C[C@@H](N(C)S(C)(=O)=O)C[C@H]4C3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.84
CCR5 P51681 6/20 0.42
CCRL2 O00421 1/20 0.39
CACNA1B Q00975 2/20 0.33
SPR P35270 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
RBP4 P02753 1/20 0.33
FFAR1 O14842 1/20 0.32
RECQL P46063 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
SCN9A Q15858 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL14945719 0.92 CCR2 (1.00) CCR2CCR5CCRL2CACNA1BSPR
SCHEMBL15032048 0.89 CCR2 (0.75) CCR2CCR5RBP4FFAR1RECQL
SCHEMBL15032052 0.87 CCR2 (0.71) CCR2CCR5FFAR1RECQLSCN9A
SCHEMBL14945908 0.84 CCR2 (0.79) CCR2CCR5SCN9ALMNA
SCHEMBL12184755 0.84 CCR2 (0.85) CCR2CCR5CCRL2CACNA1BGPR119
SCHEMBL12184105 0.84 CCR2 (0.78) CCR2CCR5SCN9ALMNA
SCHEMBL14945907 0.83 CCR2 (0.79) CCR2CCR5SPRFFAR1RECQL
SCHEMBL12184055 0.83 CCR2 (0.79) CCR2CCR5TRPV4SCN9A
SCHEMBL12184102 0.83 CCR2 (0.76) CCR2CCR5SPRRECQLSCN9A
SCHEMBL12184078 0.82 CCR2 (0.76) CCR2CCR5CCRL2SCN9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721025-B1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS CCR2, CCRL2, CXCR2 CCR2 1/4885CCR5 6/4885CCRL2 2/4885

“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.