SCHEMBL12184705

SCHEMBL12184705

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.45
CCR5 P51681 1/20 0.43
TRPV3 Q8NET8 1/20 0.39
NOTUM Q6P988 1/20 0.38
POLB P06746 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DPP7 Q9UHL4 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.36
SPR P35270 1/20 0.36
ADORA1 P30542 2/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12184706 0.89 CCR2 (0.47) CCR2CCR5TRPV3NOTUMDPP7
SCHEMBL14945701 0.86 CCR2 (0.47) CCR2CCR5TRPV3POLBDPP7
SCHEMBL14945699 0.84 CCR2 (0.58) CCR2CCR5TRPV3DPP7THRB
SCHEMBL14653237 0.82 CCR2 (0.48) CCR2CCR5TRPV3POLBLMNA
SCHEMBL14653219 0.82 CCR2 (0.41) CCR2CCR5TRPV3POLBADORA3
SCHEMBL12183980 0.81 CCR2 (0.40) CCR2CCR5TRPV3NOTUMLMNA
SCHEMBL12184707 0.80 CCR2 (0.54) CCR2CCR5POLBDPP7LMNA
SCHEMBL14653185 0.79 CCR2 (0.51) CCR2CCR5POLBLMNATHRB
SCHEMBL14653216 0.79 CCR2 (0.43) CCR2CCR5POLBADORA3LMNA
SCHEMBL12183924 0.79 CCR2 (0.46) CCR2TRPV3DPP7THRBSPR

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 6 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
WO-2011141474-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 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-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 CCR2 1/4885CCR5 5/4885TRPV3 347/4885

“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.