SCHEMBL14945908

SCHEMBL14945908

Cc1c(C(=O)N2CCC(N3CCCC3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.79
CCR5 P51681 2/20 0.48
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL3 Q96JM7 6/20 0.39
L3MBTL1 Q9Y468 6/20 0.39
OGFRL1 Q5TC84 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
LMNA P02545 1/20 0.37
SCN9A Q15858 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CYP2D6 P10635 1/20 0.37
MBTD1 Q05BQ5 1/20 0.36
TP53BP1 Q12888 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
SCHEMBL12184105 0.99 CCR2 (0.78) CCR2CCR5ALDH1A1GAAMAPT
SCHEMBL14945907 0.93 CCR2 (0.79) CCR2CCR5ALDH1A1GAAMAPT
SCHEMBL12184078 0.93 CCR2 (0.76) CCR2CCR5ALDH1A1SMN1; SMN2L3MBTL3
SCHEMBL14945912 0.92 CCR2 (0.70) CCR2CCR5ALDH1A1GAAMAPT
SCHEMBL15032052 0.90 CCR2 (0.71) CCR2CCR5ALDH1A1GAAMAPT
SCHEMBL14945719 0.88 CCR2 (1.00) CCR2CCR5OGFRL1OPRM1OPRD1
SCHEMBL12184055 0.88 CCR2 (0.79) CCR2CCR5OGFRL1OPRM1OPRD1
SCHEMBL12184102 0.88 CCR2 (0.76) CCR2CCR5ALDH1A1GAAMAPT
SCHEMBL15032048 0.88 CCR2 (0.75) CCR2CCR5LMNASCN9AHRH3
SCHEMBL14945905 0.87 CCR2 (0.67) CCR2CCR5LMNASCN9A

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 5/4885ALDH1A1 1133/4885

“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.