SCHEMBL7548314

SCHEMBL7548314

CN(CCN1CCCCC1)c1ccc(-c2nc3ccc(Cc4ccccc4)cc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.67
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
ACHE P22303 6/20 0.48
SLC2A1 P11166 1/20 0.47
NT5E P21589 1/20 0.47
HRH3 Q9Y5N1 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
CHEK2 O96017 6/20 0.42
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40

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
SCHEMBL7549628 0.88 CCR2 (0.71) CCR2HTR1ADRD2HTR2AACHE
SCHEMBL7549637 0.85 CCR2 (0.62) CCR2ACHECHEK2
SCHEMBL7553543 0.85 CCR2 (0.79) CCR2HTR1ADRD2HTR2AACHE
SCHEMBL7550201 0.85 CCR2 (0.67) CCR2HTR1ADRD2HTR2AACHE
SCHEMBL7554508 0.85 CCR2 (0.72) CCR2DRD2ACHEHRH3HDAC6
SCHEMBL7160131 0.84 CCR2 (0.74) CCR2ACHECHEK2TCF4CTNNB1
SCHEMBL7550045 0.83 CCR2 (0.79) CCR2HTR2AACHECHEK2
SCHEMBL7548595 0.83 CCR2 (0.73) CCR2ACHECHEK2TCF4CTNNB1
SCHEMBL7550203 0.83 CCR2 (0.64) CCR2HDAC6CHEK2
SCHEMBL7553813 0.82 CCR2 (0.70) CCR2ACHECHEK2

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 4 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 claimed
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 claimed
EP-0927167-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-07-07 EP claimed
WO-1998006703-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO claimed

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 2/4885HTR1A 3215/4885DRD2 2870/4885

“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.