SCHEMBL7571730

SCHEMBL7571730

CCN(CC)CCN(CCN1CCCCC1)c1ccccc1-c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.48
CCR2 P41597 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
AMY1A P0DUB6 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7551142 0.93 CCR2 (0.43) ACHECCR2HRH4KDM4ECRHR1
SCHEMBL7549975 0.90 CCR2 (0.55) ACHECCR2TP53HPGDNPC1
SCHEMBL7550047 0.89 ACHE (0.46) ACHECCR2HPGDNPC1TSHR
SCHEMBL7553927 0.89 ACHE (0.54) ACHEHRH4AMY1ATP53HPGD
SCHEMBL7553615 0.85 CCR2 (0.54) ACHECCR2HRH4DRD2DRD4
SCHEMBL7548763 0.85 PDE5A (0.43) ACHECCR2HPGDTSHRKDM4E
SCHEMBL7549629 0.84 ACHE (0.52) ACHECCR2HRH4DRD2DRD4
SCHEMBL7551037 0.84 ACHE (0.59) ACHECCR2HRH4TP53HPGD
SCHEMBL7157044 0.83 HRH3 (0.39) ACHECCR2DRD2HPGDTSHR
SCHEMBL7547644 0.81 ACHE (0.44) ACHEAMY1ATP53HPGDNPC1

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
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 US disclosed
US-6184235-B1 MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) ANTAGONIST FOR TREATMENT OF INFLAMMATORY DISEASES, ATHEROSCLEROSIS, RESTENOSIS, AUTOIMMUNE DISEASES, ORGAN TRANSPLANT REJECTION IN MAMMALS WARNER-LAMBERT COMPANY 2001-02-06 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 ACHE 4652/4885CCR2 2/4885HRH4 76/4885

“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.