SCHEMBL15033697

SCHEMBL15033697

Cc1c(Nc2ccc(Cl)c(Cl)c2)nc(C2CC2)nc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.42
KMO O15229 1/20 0.40
CCR2 P41597 2/20 0.40
CCR5 P51681 1/20 0.40
DHODH Q02127 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TMEM97 Q5BJF2 4/20 0.38
SIGMAR1 Q99720 3/20 0.38
DRD3 P35462 2/20 0.38
PDE10A Q9Y233 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL14653353 0.90 CCR2 (0.44) CCR2CCR5LMNAMAPT
SCHEMBL15033751 0.83 KMO (0.45) KMODHODHKDM4EMEN1LMNA
SCHEMBL1610313 0.81 SLC6A3 (0.43) ADORA3DHODHKDM4EMEN1MAPT
SCHEMBL15033718 0.79 MAPT (0.43) KMOCCR2CCR5DHODHKDM4E
SCHEMBL15033730 0.78 LMNA (0.49) DHODHMEN1LMNAMAPTKMT2A
SCHEMBL16257566 0.78 MEN1 (0.42) KMOCCR2CCR5DHODHKDM4E
SCHEMBL15083655 0.78 CCR2 (0.51) KMOCCR2CCR5DHODHKDM4E
SCHEMBL15033668 0.75 KMO (0.58) KMOCCR2MEN1HTTKMT2A
SCHEMBL12180013 0.75 CCR2 (0.66) CCR2CCR5LMNAMAPT
SCHEMBL16257528 0.75 CCR2 (0.66) CCR2CCR5LMNAMAPT

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-2721025-B1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-8946218-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
EP-2569295-B1 NEW CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 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 ADORA3 374/4885KMO 1751/4885CCR2 1/4885

“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.