SCHEMBL14653161

SCHEMBL14653161

Cc1c(C(=O)O)nc(C2CCOCC2)nc1N1CCc2cc(C(F)(F)F)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.52
CCR5 P51681 2/20 0.52
CHRM3 P20309 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SCN9A Q15858 1/20 0.38
PDE10A Q9Y233 2/20 0.36
MAP3K12 Q12852 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
S1PR1 P21453 2/20 0.36
PHGDH O43175 1/20 0.35
NOTUM Q6P988 1/20 0.34
RBP4 P02753 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL14653224 0.96 CCR2 (0.49) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL14945703 0.90 CCR2 (0.48) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL14653185 0.89 CCR2 (0.51) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL14653237 0.86 CCR2 (0.48) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL15081487 0.83 CCR2 (0.70) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL20976585 0.83 CCR2 (0.70) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL15081513 0.83 CCR2 (0.70) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL15081425 0.80 CCR2 (0.66) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL20976590 0.80 CCR2 (0.66) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL15081523 0.80 CCR2 (0.66) CCR2CCR5CHRM3PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731941-B1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2019-05-08 EP disclosed
US-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
US-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
WO-2013010839-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 WO 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-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 CCR2 1/4885CCR5 6/4885CHRM3 108/4885

“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.