SCHEMBL14945699

SCHEMBL14945699

CCOC(=O)c1ncnc(N2CCc3ccc(C(F)(F)F)cc3C2)c1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.58
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PTK2B Q14289 1/20 0.43
CCR5 P51681 1/20 0.40
SCN9A Q15858 1/20 0.40
HTR2C P28335 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
DPP7 Q9UHL4 2/20 0.39
TRPV3 Q8NET8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL12184707 0.96 CCR2 (0.54) CCR2HPGDMAPTKDM4EPTK2B
SCHEMBL12183919 0.88 CCR2 (0.48) CCR2HPGDMAPTKDM4EPTK2B
SCHEMBL12184698 0.87 CCR2 (0.44) CCR2HPGDMAPTKDM4EPTK2B
SCHEMBL12183862 0.87 CCR2 (0.60) CCR2HPGDMAPTKDM4EPTK2B
SCHEMBL12183904 0.87 MAPT (0.44) CCR2HPGDMAPTKDM4EPTK2B
SCHEMBL12184701 0.85 GABRG2 (0.43) CCR2HPGDMAPTKDM4EPTK2B
SCHEMBL12183903 0.85 MAPT (0.43) CCR2HPGDMAPTKDM4EPTK2B
SCHEMBL14945905 0.85 CCR2 (0.67) CCR2CCR5SCN9ARECQL
SCHEMBL12183924 0.85 CCR2 (0.46) CCR2HPGDMAPTKDM4ETHRB
SCHEMBL12184705 0.84 CCR2 (0.45) CCR2HPGDMAPTCCR5THRB

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 8 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
EP-2721025-B1 NEW SELECTIVE CCR2 ANTAGONISTS 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-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
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 (2 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 1/4885HPGD 834/4885MAPT 4161/4885
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 CCR2 1/4885HPGD 138/4885MAPT 4717/4885

“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.