SCHEMBL14945909

SCHEMBL14945909

CCN(CC)C1CCN(C(=O)c2ncnc(N3CCc4ccc(C(F)(F)F)cc4C3)c2C)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.71
CCR5 P51681 3/20 0.47
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.37
DPP7 Q9UHL4 2/20 0.36
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CACNA1B Q00975 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PTK2B Q14289 1/20 0.36
SPR P35270 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK7 Q13164 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 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
SCHEMBL12184076 0.95 CCR2 (0.67) CCR2CCR5RECQLDPP7SCN9A
SCHEMBL12184102 0.91 CCR2 (0.76) CCR2CCR5RECQLLMNASCN9A
SCHEMBL14945905 0.86 CCR2 (0.67) CCR2CCR5RECQLLMNASCN9A
SCHEMBL14945908 0.86 CCR2 (0.79) CCR2CCR5LMNASCN9AALDH1A1
SCHEMBL14945713 0.85 CCR2 (0.66) CCR2CCR5RECQLLMNADPP7
SCHEMBL12184105 0.85 CCR2 (0.78) CCR2CCR5LMNASCN9AALDH1A1
SCHEMBL14945907 0.84 CCR2 (0.79) CCR2CCR5RECQLLMNASCN9A
SCHEMBL12184078 0.84 CCR2 (0.76) CCR2CCR5LMNASCN9AALDH1A1
SCHEMBL14945719 0.83 CCR2 (1.00) CCR2CCR5LMNASCN9ACACNA1B
SCHEMBL14948792 0.83 CCR2 (0.64) CCR2CCR5LMNAKCNH2PIK3CD

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 5/4885RECQL 3049/4885

“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.