SCHEMBL14945703

SCHEMBL14945703

Cc1c(C(=O)O)nc(C2CC2)nc1N1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.48
CHRM3 P20309 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
CCR5 P51681 1/20 0.45
TRPV3 Q8NET8 1/20 0.39
SPR P35270 1/20 0.38
NOTUM Q6P988 1/20 0.37
SCN9A Q15858 1/20 0.37

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 0.94 CCR2 (0.49) CCR2CHRM3PDE4APDE4BPDE4C
SCHEMBL14653161 0.90 CCR2 (0.52) CCR2CHRM3PDE4APDE4BPDE4C
SCHEMBL14945701 0.88 CCR2 (0.47) CCR2CHRM3PDE4APDE4BPDE4C
SCHEMBL15081504 0.86 CCR2 (0.53) CCR2CCR5TRPV3SPRNOTUM
SCHEMBL15081485 0.83 CCR2 (0.45) CCR2CCR5TRPV3SPRNOTUM
SCHEMBL12184706 0.83 CCR2 (0.47) CCR2CCR5TRPV3SPRNOTUM
SCHEMBL15081423 0.83 CCR2 (0.45) CCR2CCR5TRPV3SPRNOTUM
SCHEMBL14653237 0.83 CCR2 (0.48) CCR2CHRM3PDE4APDE4BPDE4C
SCHEMBL12183862 0.81 CCR2 (0.60) CCR2CCR5TRPV3SPRNOTUM
SCHEMBL14948670 0.80 CCR2 (0.67) CCR2CHRM3PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569298-B1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 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-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 CCR2 1/4885CHRM3 136/4885PDE4A 1889/4885

“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.