SCHEMBL15032057

SCHEMBL15032057

Cc1c(C(=O)N2CCC(N3CCO[C@@H]4COCC[C@@H]43)CC2)ncnc1N1COc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.48
CCR5 P51681 3/20 0.44
KCNH2 Q12809 3/20 0.34
USP2 O75604 1/20 0.32
PKM P14618 1/20 0.32
MAPK7 Q13164 1/20 0.31
SCN9A Q15858 2/20 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
SCHEMBL15032046 0.89 CCR2 (0.61) CCR2CCR5KCNH2USP2PKM
SCHEMBL15032049 0.89 CCR2 (0.61) CCR2CCR5KCNH2USP2PKM
SCHEMBL14945895 0.81 CCR2 (0.56) CCR2CCR5KCNH2
SCHEMBL14945891 0.81 CCR2 (0.56) CCR2CCR5KCNH2
SCHEMBL14945886 0.80 CCR2 (0.67) CCR2CCR5KCNH2
SCHEMBL15033677 0.77 CCR2 (0.46) CCR2CCR5KCNH2
SCHEMBL12183878 0.75 CCR2 (0.43) CCR2CCR5KCNH2SCN9A
SCHEMBL15032042 0.74 CCR2 (0.40) CCR2CCR5
SCHEMBL15032044 0.74 CCR2 (0.40) CCR2CCR5
SCHEMBL14325864 0.73 CCR2 (0.42) CCR2

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-2721025-B1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
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 6/4885KCNH2 2317/4885

“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.