SCHEMBL14948792

SCHEMBL14948792

Cc1c(C(=O)N2CCC(NC3CCOCC3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.64
CCR5 P51681 2/20 0.61
LMNA P02545 1/20 0.42
KCNH2 Q12809 4/20 0.40
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL14945890 0.90 CCR2 (0.66) CCR2CCR5LMNAKCNH2
SCHEMBL14945892 0.90 CCR2 (0.66) CCR2CCR5LMNAKCNH2
SCHEMBL14945893 0.90 CCR2 (0.66) CCR2CCR5LMNAKCNH2
SCHEMBL14945868 0.89 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL14945866 0.89 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL14945832 0.89 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL15081442 0.88 CCR2 (0.75) CCR2CCR5KCNH2
SCHEMBL12184078 0.88 CCR2 (0.76) CCR2CCR5LMNA
SCHEMBL14945901 0.88 CCR2 (0.66) CCR2CCR5KCNH2
SCHEMBL20976573 0.86 CCR2 (0.62) CCR2CCR5KCNH2

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 3 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-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 5/4885LMNA 4590/4885

“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.