SCHEMBL7550508

SCHEMBL7550508

CCN(CC)CCN(CCN1CCCCC1)c1ccc(-c2nc3cccnc3[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.45
ACHE P22303 6/20 0.42
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35
KDM4E B2RXH2 1/20 0.34
KCNH2 Q12809 1/20 0.34
ACP1 P24666 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
SCHEMBL7550216 0.90 CCR2 (0.41) CCR2ACHEALDH1A1LMNAGAA
SCHEMBL7548302 0.88 ACHE (0.40) ACHEALDH1A1SMN1; SMN2KDM4E
SCHEMBL7155423 0.86 CCR2 (0.44) CCR2ACHEALDH1A1LMNAGAA
SCHEMBL7550103 0.85 ACHE (0.56) CCR2ACHEALDH1A1LMNAGAA
SCHEMBL7160843 0.85 AURKA (0.51) CCR2ACHE
SCHEMBL7549559 0.84 CCR2 (0.62) CCR2ACHEHRH3DRD3DRD2
SCHEMBL7546111 0.84 HRH3 (0.41) CCR2ACHEALDH1A1LMNAGAA
SCHEMBL7546108 0.83 CCR2 (0.49) CCR2ACHEALDH1A1LMNAGAA
SCHEMBL7547919 0.83 AURKA (0.51) CCR2ACHEALDH1A1LMNASMN1; SMN2
SCHEMBL7569900 0.79 CCR2 (0.72) CCR2ACHEALDH1A1GFERKMT2A

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 2/4885ACHE 4652/4885ALDH1A1 2817/4885

“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.