SCHEMBL7554047

SCHEMBL7554047

CCN(CC)CCN(CCN1CCCCC1)c1cccc(-c2nc3ccncc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.43
NPY5R Q15761 1/20 0.42
AURKA O14965 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 2/20 0.39
ACHE P22303 6/20 0.38
RAD52 P43351 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
IKBKB O14920 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL7547138 0.93 CCR2 (0.43) CCR2NPY5RALDH1A1KDM4EHPGD
SCHEMBL7547919 0.90 AURKA (0.51) CCR2NPY5RAURKAALDH1A1KDM4E
SCHEMBL7554544 0.89 ACHE (0.49) CCR2ALDH1A1KDM4EHPGDACHE
SCHEMBL7549561 0.89 AURKA (0.51) NPY5RAURKAALDH1A1KDM4EHPGD
SCHEMBL7550216 0.86 CCR2 (0.41) CCR2AURKAALDH1A1ACHERAD52
SCHEMBL7549629 0.86 ACHE (0.52) CCR2ALDH1A1KDM4EHPGDACHE
SCHEMBL7549560 0.85 CCR2 (0.56) CCR2NPY5RAURKAALDH1A1KDM4E
SCHEMBL7160108 0.85 NPY5R (0.43) CCR2NPY5RAURKAACHERAD52
SCHEMBL7546998 0.85 CCR2 (0.62) CCR2ALDH1A1KDM4EHPGDACHE
SCHEMBL7151726 0.84 CCR2 (0.40) CCR2ACHERAD52

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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 CCR2 2/4885NPY5R 649/4885AURKA 4675/4885

“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.