SCHEMBL7546972

SCHEMBL7546972

Clc1ccc(Oc2ccc3nc(-c4ccc(CNCCN5CCCCC5)cc4)[nH]c3c2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.55
CHEK2 O96017 8/20 0.48
CCR2 P41597 1/20 0.48
HRH4 Q9H3N8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SIGMAR1 Q99720 2/20 0.44

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
SCHEMBL7553785 0.86 CCR2 (0.62) ACHECHEK2CCR2HDAC6SIGMAR1
Hydrochloric Acid SCHEMBL7157090 0.86 ACHE (0.56) ACHECHEK2HDAC6
SCHEMBL7550044 0.86 ACHE (0.65) ACHECHEK2CCR2HRH4HDAC6
SCHEMBL7549634 0.83 ACHE (0.53) ACHECHEK2
SCHEMBL7548588 0.82 ACHE (0.49) ACHECHEK2CCR2HDAC6
SCHEMBL7547110 0.81 CCR2 (0.53) ACHECHEK2CCR2HDAC6SIGMAR1
SCHEMBL7547201 0.81 CCR2 (0.47) ACHECHEK2CCR2HDAC6SIGMAR1
SCHEMBL7546974 0.80 CCR2 (0.76) ACHECHEK2CCR2HRH4
SCHEMBL7155181 0.80 DPP7 (0.44) ACHECCR2HDAC6SIGMAR1
SCHEMBL7546717 0.80 ACHE (0.54) ACHECHEK2CCR2HRH4HDAC6

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 ACHE 4652/4885CHEK2 3746/4885CCR2 2/4885

“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.