SCHEMBL7159643

SCHEMBL7159643

CN(C)CCN(CCN(C)C)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.59
RHEB Q15382 3/20 0.55
ACHE P22303 3/20 0.50
TCF4 P15884 1/20 0.46
CTNNB1 P35222 1/20 0.46
PRSS12 P56730 2/20 0.44
HRH4 Q9H3N8 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
AURKA O14965 2/20 0.42
KIF11 P52732 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHEK2 O96017 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
SCHEMBL7160211 0.88 CCR2 (0.54) CCR2RHEBACHETCF4CTNNB1
SCHEMBL7156630 0.88 CCR2 (0.49) CCR2RHEBACHEPRSS12HRH4
SCHEMBL8519745 0.86 ACHE (0.67) ACHETCF4CTNNB1HRH4NPC1
SCHEMBL7546708 0.86 ACHE (0.67) ACHETCF4CTNNB1HRH4NPC1
SCHEMBL7553489 0.86 ACHE (0.55) CCR2ACHETCF4CTNNB1HRH4
SCHEMBL7549644 0.80 ACHE (0.64) ACHENPC1RAB9AMAPTGAA
SCHEMBL7553109 0.78 NPC1 (0.51) CCR2RHEBACHEHRH4NPC1
SCHEMBL7569900 0.77 CCR2 (0.72) CCR2RHEBACHEPRSS12HRH4
SCHEMBL7551054 0.77 AURKA (0.71) ACHETCF4CTNNB1PTGDR2AURKA
SCHEMBL7547965 0.77 AURKA (0.56) ACHETCF4CTNNB1AURKANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534521-B2 Useful in the treatment of inflammation, atherosclerosis, restenosis, and immune disorders such as arthritis and transplant rejection MILLENNIUM PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 US disclosed
US-6348487-B1 ANTIINFLAMMATORY AGENTS, ATHEROSCLEROSIS, RESTINOSIS AND IMMUNE DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2002-02-19 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
EP-0927167-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998006703-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO 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 2/4885RHEB 4371/4885ACHE 4652/4885

“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.