SCHEMBL15032048

SCHEMBL15032048

Cc1c(C(=O)N2CCC(N3CC4CN(S(C)(=O)=O)CC4C3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.75
CCR5 P51681 3/20 0.44
RBP4 P02753 3/20 0.38
SMO Q99835 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
RECQL P46063 1/20 0.34
FFAR1 O14842 1/20 0.34
LMNA P02545 1/20 0.34
SCN9A Q15858 1/20 0.34
PIK3CD O00329 1/20 0.34
ADRA1A P35348 3/20 0.33
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL15032052 0.90 CCR2 (0.71) CCR2CCR5RECQLFFAR1LMNA
SCHEMBL15032047 0.89 CCR2 (0.84) CCR2CCR5RBP4GPR119RECQL
SCHEMBL14945908 0.88 CCR2 (0.79) CCR2CCR5LMNASCN9AADRA1A
SCHEMBL12184105 0.87 CCR2 (0.78) CCR2CCR5LMNASCN9AADRA1A
SCHEMBL14945907 0.86 CCR2 (0.79) CCR2CCR5RECQLFFAR1LMNA
SCHEMBL12184055 0.86 CCR2 (0.79) CCR2CCR5SMOSCN9AADRA1A
SCHEMBL14945719 0.86 CCR2 (1.00) CCR2CCR5GPR119LMNASCN9A
SCHEMBL12184078 0.85 CCR2 (0.76) CCR2CCR5LMNASCN9AADRA1A
SCHEMBL14945912 0.85 CCR2 (0.70) CCR2CCR5LMNASCN9AADRA1A
SCHEMBL12184102 0.82 CCR2 (0.76) CCR2CCR5RECQLLMNASCN9A

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-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
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 6/4885RBP4 4387/4885

“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.