SCHEMBL7547138

SCHEMBL7547138

CCN(CC)CCN(CCN1CCCCC1)c1cccc(-c2nc3cnccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.43
ACHE P22303 6/20 0.38
RAD52 P43351 1/20 0.37
CYP3A4 P08684 1/20 0.35
NPY5R Q15761 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GRIN2B Q13224 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL7554047 0.93 CCR2 (0.43) CCR2ACHERAD52CYP3A4NPY5R
SCHEMBL7546108 0.90 CCR2 (0.49) CCR2ACHEKDM4ENPC1ALDH1A1
SCHEMBL7554544 0.89 ACHE (0.49) CCR2ACHECYP1A2CYP2D6GRIN2B
SCHEMBL7549554 0.89 KDM4E (0.40) ACHECYP3A4NPY5RCYP1A2CYP2D6
SCHEMBL7151726 0.86 CCR2 (0.40) CCR2ACHERAD52ADORA2AADORA1
SCHEMBL7550216 0.86 CCR2 (0.41) CCR2ACHERAD52CYP3A4HRH3
SCHEMBL7550750 0.86 CCR2 (0.49) CCR2ACHECYP1A2CYP2D6GRIN2B
SCHEMBL7554509 0.85 CCR2 (0.56) CCR2ACHENPY5RCYP1A2CYP2D6
SCHEMBL7546998 0.85 CCR2 (0.62) CCR2ACHECYP3A4CYP1A2CYP2D6
SCHEMBL7549629 0.84 ACHE (0.52) CCR2ACHECYP3A4KDM4ENPC1

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 4652/4885RAD52 3174/4885

“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.