SCHEMBL7155181

SCHEMBL7155181

Clc1ccc2nc(-c3ccc(CNCCN4CCCCC4)cc3)[nH]c2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.44
CCR2 P41597 1/20 0.44
ACHE P22303 6/20 0.42
SIGMAR1 Q99720 2/20 0.42
TBK1 Q9UHD2 1/20 0.41
MCHR1 Q99705 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAP4K4 O95819 2/20 0.38
KMT2A Q03164 1/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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 0.82 CCR2 (0.62) DPP7CCR2ACHESIGMAR1HDAC6
SCHEMBL7550044 0.81 ACHE (0.65) DPP7CCR2ACHEHDAC6CYP3A4
SCHEMBL7546972 0.80 ACHE (0.55) CCR2ACHESIGMAR1HDAC6
SCHEMBL7546717 0.79 ACHE (0.54) DPP7CCR2ACHESIGMAR1HDAC6
SCHEMBL7547110 0.79 CCR2 (0.53) DPP7CCR2ACHESIGMAR1MCHR1
SCHEMBL7554506 0.78 ACHE (0.62) DPP7ACHECYP2D6
SCHEMBL7155182 0.78 CCR2 (0.71) CCR2ACHESIGMAR1TBK1MCHR1
SCHEMBL7547201 0.77 CCR2 (0.47) DPP7CCR2ACHESIGMAR1HDAC6
SCHEMBL7548588 0.77 ACHE (0.49) DPP7CCR2ACHEMCHR1HDAC6
SCHEMBL7549557 0.77 DPP7 (0.49) DPP7ACHEMCHR1CYP3A4CYP2D6

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 DPP7 2503/4885CCR2 2/4885ACHE 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.