SCHEMBL14945907

SCHEMBL14945907

Cc1c(C(=O)N2CCC(N3CCC(O)CC3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.79
CCR5 P51681 2/20 0.47
TRPV1 Q8NER1 1/20 0.40
OGFRL1 Q5TC84 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
LMNA P02545 1/20 0.36
SCN9A Q15858 2/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
ADRA1A P35348 1/20 0.36
TACR1 P25103 1/20 0.35
KCNH2 Q12809 1/20 0.35
SPR P35270 1/20 0.35
RECQL P46063 1/20 0.35
FFAR1 O14842 1/20 0.35
MAPK7 Q13164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL14945908 0.93 CCR2 (0.79) CCR2CCR5OGFRL1OPRM1OPRD1
SCHEMBL12184105 0.93 CCR2 (0.78) CCR2CCR5OGFRL1OPRM1OPRD1
SCHEMBL12184078 0.91 CCR2 (0.76) CCR2CCR5LMNASCN9AADRA1A
SCHEMBL14945912 0.91 CCR2 (0.70) CCR2CCR5TRPV1LMNASCN9A
SCHEMBL12184055 0.89 CCR2 (0.79) CCR2CCR5OGFRL1OPRM1OPRD1
SCHEMBL14945719 0.89 CCR2 (1.00) CCR2CCR5OGFRL1OPRM1OPRD1
SCHEMBL15032052 0.88 CCR2 (0.71) CCR2CCR5LMNASCN9AADRA1A
SCHEMBL12184102 0.86 CCR2 (0.76) CCR2CCR5LMNASCN9ASPR
SCHEMBL15032048 0.86 CCR2 (0.75) CCR2CCR5LMNASCN9AADRA1A
SCHEMBL12184570 0.86 CCR2 (0.69) CCR2CCR5OGFRL1OPRM1OPRD1

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 5/4885TRPV1 99/4885

“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.