SCHEMBL14945910

SCHEMBL14945910

Cc1c(C(=O)N2CCCN(CCO)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.58
CCR5 P51681 1/20 0.42
RECQL P46063 2/20 0.41
RORC P51449 2/20 0.40
SCN9A Q15858 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
DDR1 Q08345 2/20 0.36
DDR2 Q16832 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
LMNA P02545 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
NAMPT P43490 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SPR P35270 1/20 0.35
LDHA P00338 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
SCHEMBL12184207 0.90 CCR2 (0.63) CCR2CCR5RECQLSCN9ADDR1
SCHEMBL14945905 0.88 CCR2 (0.67) CCR2CCR5RECQLSCN9ADDR1
SCHEMBL14945713 0.84 CCR2 (0.66) CCR2CCR5RECQLSCN9ALMNA
SCHEMBL12184082 0.83 CCR2 (0.63) CCR2CCR5RECQLSCN9ALMNA
SCHEMBL14945908 0.81 CCR2 (0.79) CCR2CCR5SCN9ALMNASMN1; SMN2
SCHEMBL12184102 0.81 CCR2 (0.76) CCR2CCR5RECQLRORCSCN9A
SCHEMBL12184105 0.80 CCR2 (0.78) CCR2CCR5SCN9ALMNAKDM4E
SCHEMBL14945909 0.80 CCR2 (0.71) CCR2CCR5RECQLSCN9ALMNA
SCHEMBL12183862 0.80 CCR2 (0.60) CCR2CCR5RECQLSCN9ALMNA
SCHEMBL14945699 0.79 CCR2 (0.58) CCR2CCR5RECQLSCN9ATRPV3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.