SCHEMBL7153453

SCHEMBL7153453

CCN(CC)CCN(CCN1CCCCC1)c1ccccc1-c1nc2cncnc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
ACHE P22303 2/20 0.32
PARP1 P09874 1/20 0.32
RAD52 P43351 1/20 0.32
CCR2 P41597 1/20 0.32
DRD2 P14416 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7155316 0.89 TSHR (0.36) ALDH1A1GAASMN1; SMN2TSHRKDM4E
SCHEMBL7546111 0.87 HRH3 (0.41) HRH3ACHECCR2DRD2SLC6A3
SCHEMBL7156840 0.86 NPY5R (0.38) HRH3ACHEPARP1CCR2DRD2
SCHEMBL7157333 0.85 HRH3 (0.47) HRH3ACHECCR2LMNAKMT2A
SCHEMBL7554712 0.85 PTGES (0.34) ACHEALDH1A1LMNAGAATSHR
SCHEMBL7157044 0.85 HRH3 (0.39) HRH3ACHEPARP1CCR2DRD2
SCHEMBL7155423 0.84 CCR2 (0.44) ACHERAD52CCR2ALDH1A1LMNA
SCHEMBL7550047 0.83 ACHE (0.46) HRH3ACHECCR2ALDH1A1LMNA
SCHEMBL7548763 0.83 PDE5A (0.43) HRH3ACHECCR2ALDH1A1GAA
SCHEMBL7151726 0.82 CCR2 (0.40) ACHEPARP1RAD52CCR2

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-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

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 HRH3 165/4885ACHE 4652/4885PARP1 1338/4885

“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.