SCHEMBL7553809

SCHEMBL7553809

CC(C)(C)c1ccc2nc(-c3ccc(CNCCN4CCCCC4)cc3)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.51
ACHE P22303 5/20 0.49
SCD O00767 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
TRPV1 Q8NER1 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
CCR2 P41597 1/20 0.44
DGAT1 O75907 1/20 0.44
SOAT1 P35610 1/20 0.44
KCNH2 Q12809 1/20 0.44
CHEK2 O96017 1/20 0.44
NPBWR1 P48145 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
SCHEMBL7550044 0.85 ACHE (0.65) HRH4ACHEHDAC6CCR2CHEK2
SCHEMBL7548588 0.85 ACHE (0.49) ACHEHDAC6CCR2CHEK2
SCHEMBL7549395 0.84 ACHE (0.50) ACHEHDAC6CCR2CHEK2
Hydrochloric Acid SCHEMBL7157090 0.83 ACHE (0.56) ACHEHDAC6CHEK2
SCHEMBL7550196 0.83 HDAC6 (0.49) ACHEHDAC6CCR2CHEK2
SCHEMBL7548311 0.82 DPP7 (0.53) ACHEHDAC6CCR2CHEK2
SCHEMBL7554506 0.82 ACHE (0.62) ACHE
SCHEMBL7553785 0.82 CCR2 (0.62) ACHEHDAC6PTGDR2CCR2CHEK2
SCHEMBL7553596 0.80 HPSE (0.48) ACHEHDAC6PTGDR2CCR2
SCHEMBL7546972 0.79 ACHE (0.55) HRH4ACHEHDAC6CCR2CHEK2

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 2 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

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 HRH4 76/4885ACHE 4652/4885SCD 4392/4885

“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.