SCHEMBL14945701

SCHEMBL14945701

CCOC(=O)c1nc(C2CC2)nc(N2CCc3ccc(C(F)(F)F)cc3C2)c1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.47
CCR5 P51681 1/20 0.44
CHRM3 P20309 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TRPV3 Q8NET8 1/20 0.38
DPP7 Q9UHL4 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
TRPC3 Q13507 1/20 0.36
TRPC7 Q9HCX4 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.35
SPR P35270 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL14653237 0.94 CCR2 (0.48) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL14653185 0.91 CCR2 (0.51) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL14945703 0.88 CCR2 (0.48) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL12184705 0.86 CCR2 (0.45) CCR2CCR5TRPV3DPP7ADORA3
SCHEMBL14945699 0.83 CCR2 (0.58) CCR2CCR5TRPV3DPP7THRB
SCHEMBL14653224 0.82 CCR2 (0.49) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL14653219 0.81 CCR2 (0.41) CCR2CCR5TRPV3ADORA3LMNA
SCHEMBL12184707 0.79 CCR2 (0.54) CCR2CCR5DPP7LMNAPOLB
SCHEMBL14653161 0.79 CCR2 (0.52) CCR2CCR5CHRM3PDE4APDE4B
SCHEMBL14653216 0.77 CCR2 (0.43) CCR2CCR5ADORA3LMNAPOLB

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 1/4885CCR5 5/4885CHRM3 136/4885

“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.