SCHEMBL7548595

SCHEMBL7548595

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

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.73
TCF4 P15884 1/20 0.61
CTNNB1 P35222 1/20 0.61
ACHE P22303 7/20 0.52
CHEK2 O96017 2/20 0.46
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
AMY1A P0DUB6 1/20 0.42
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
CYP11B1 P15538 1/20 0.41

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
SCHEMBL7160131 0.88 CCR2 (0.74) CCR2TCF4CTNNB1ACHECHEK2
SCHEMBL7550045 0.88 CCR2 (0.79) CCR2ACHECHEK2
SCHEMBL7549752 0.87 CCR2 (0.69) CCR2ACHE
SCHEMBL7549628 0.87 CCR2 (0.71) CCR2TCF4CTNNB1ACHECHEK2
SCHEMBL7553813 0.86 CCR2 (0.70) CCR2ACHECHEK2
SCHEMBL7553543 0.85 CCR2 (0.79) CCR2TCF4CTNNB1ACHECHEK2
SCHEMBL7549399 0.85 CCR2 (0.79) CCR2TCF4CTNNB1ACHECHEK2
Hydrochloric Acid SCHEMBL7157093 0.85 CCR2 (0.69) CCR2ACHECHEK2
SCHEMBL7159464 0.85 CCR2 (0.85) CCR2TCF4CTNNB1ACHECHEK2
SCHEMBL7554508 0.85 CCR2 (0.72) CCR2ACHE

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 2/4885TCF4 1939/4885CTNNB1 3623/4885

“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.