SCHEMBL15033671

SCHEMBL15033671

COc1nc(Nc2cccc(C(F)(F)F)c2)c(C)c(C(=O)N2CCC(N3CCO[C@H]4COCC[C@H]43)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.40
CCR5 P51681 2/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
CNR2 P34972 1/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
EGFR P00533 1/20 0.37
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDE4D Q08499 1/20 0.36
KCNH2 Q12809 1/20 0.36
IDH2 P48735 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 2/20 0.35
GPR52 Q9Y2T5 2/20 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
SCHEMBL15033680 1.00 CCR2 (0.40) CCR2CCR5MAPTLMNAMAPK1
SCHEMBL15033679 0.92 CNR2 (0.41) CCR2CCR5MAPTLMNACNR2
SCHEMBL17278071 0.90 CCR2 (0.41) CCR2CCR5MAPTLMNACNR2
SCHEMBL15033761 0.90 CCR2 (0.41) CCR2CCR5MAPTLMNACNR2
SCHEMBL15033726 0.90 CCR2 (0.41) CCR2CCR5MAPTLMNACNR2
SCHEMBL15033677 0.89 CCR2 (0.46) CCR2CCR5CNR2UBE2MDCUN1D1
SCHEMBL15033672 0.86 CCR2 (0.53) CCR2CCR5EGFR
SCHEMBL15033674 0.86 CCR2 (0.53) CCR2CCR5EGFR
SCHEMBL16257525 0.83 CCR2 (0.48) CCR2CCR5MAPTLMNAMAPK1
SCHEMBL16257550 0.81 CCR2 (0.52) CCR2CCR5MAPTLMNAMAPK1

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 2 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

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 6/4885MAPT 4161/4885

“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.