SCHEMBL7550201

SCHEMBL7550201

CCCCc1ccc2nc(-c3ccc(N(C)CCN4CCCCC4)cc3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.67
ACHE P22303 5/20 0.48
HTR2A P28223 2/20 0.47
MPL P40238 2/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
TERT O14746 2/20 0.45
CHEK2 O96017 2/20 0.44
CHRM1 P11229 1/20 0.44
MCHR1 Q99705 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43

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
SCHEMBL7548314 0.85 CCR2 (0.67) CCR2ACHEHTR2AHTR1ADRD2
SCHEMBL7160131 0.84 CCR2 (0.74) CCR2ACHECHEK2TCF4CTNNB1
SCHEMBL7550045 0.83 CCR2 (0.79) CCR2ACHEHTR2ACHEK2CHRM1
SCHEMBL7548595 0.83 CCR2 (0.73) CCR2ACHECHEK2TCF4CTNNB1
SCHEMBL7549628 0.82 CCR2 (0.71) CCR2ACHEHTR2AHTR1ADRD2
SCHEMBL7550196 0.82 HDAC6 (0.49) CCR2ACHEHTR2AMPLHTR1A
SCHEMBL7553813 0.82 CCR2 (0.70) CCR2ACHECHEK2NPBWR1
SCHEMBL7549399 0.81 CCR2 (0.79) CCR2ACHECHEK2TSHRTCF4
SCHEMBL7553543 0.81 CCR2 (0.79) CCR2ACHEHTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL7157093 0.81 CCR2 (0.69) CCR2ACHECHEK2LMNATSHR

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 2/4885ACHE 4652/4885HTR2A 4052/4885

“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.