SCHEMBL15033673

SCHEMBL15033673

Cc1c(NC[C@H]2CCC[C@@H](c3ccc(OC(F)(F)F)cc3)O2)ncnc1C(=O)N1CCC(N2CCO[C@H]3COCC[C@H]32)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.47
CCR5 P51681 2/20 0.47
MAPK7 Q13164 9/20 0.34
ABL1 P00519 2/20 0.34
BCR P11274 2/20 0.34
FASN P49327 1/20 0.33
EPHX2 P34913 3/20 0.32
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL15033803 1.00 CCR2 (0.47) CCR2CCR5MAPK7ABL1BCR
SCHEMBL15033802 0.92 CCR2 (0.55) CCR2CCR5FASN
SCHEMBL15033817 0.92 CCR2 (0.55) CCR2CCR5FASN
SCHEMBL15033669 0.92 CCR2 (0.55) CCR2CCR5FASN
SCHEMBL15033670 0.92 CCR2 (0.46) CCR2CCR5
SCHEMBL24176080 0.83 CCR2 (0.48) CCR2CCR5MAPK7ABL1BCR
SCHEMBL21422799 0.83 CCR2 (0.48) CCR2CCR5MAPK7ABL1BCR
SCHEMBL15849346 0.83 CCR2 (0.68) CCR2CCR5MAPK7ABL1BCR
SCHEMBL15849372 0.83 CCR2 (0.68) CCR2CCR5MAPK7ABL1BCR
SCHEMBL15849358 0.83 CCR2 (0.68) CCR2CCR5MAPK7ABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS CCR2, CCRL2, CXCR2 CCR2 1/4885CCR5 6/4885MAPK7 2406/4885

“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.