SCHEMBL7547644

SCHEMBL7547644

CCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 3/20 0.39
GPR55 Q9Y2T6 1/20 0.39
AMY1A P0DUB6 3/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FTO Q9C0B1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL7553927 0.91 ACHE (0.54) ACHEALDH1A1KDM4EAMY1AMEN1
SCHEMBL7551142 0.89 CCR2 (0.43) ACHEKDM4EHTTATMCRHR1
SCHEMBL7547916 0.88 ACHE (0.42) ACHEALDH1A1NPC1KDM4ERAB9A
SCHEMBL7546126 0.87 NPC1 (0.49) ACHEALDH1A1NPC1KDM4ERAB9A
SCHEMBL7546955 0.86 NPC1 (0.51) ALDH1A1NPC1KDM4ERAB9AGPR55
SCHEMBL7571730 0.81 ACHE (0.48) ACHEALDH1A1NPC1KDM4ERAB9A
SCHEMBL7158379 0.81 PDE5A (0.42) ALDH1A1NPC1KDM4ERAB9AGPR55
SCHEMBL7554578 0.80 ACHE (0.49) ACHEALDH1A1NPC1KDM4ERAB9A
SCHEMBL7548166 0.79 ACHE (0.56) ACHEALDH1A1NPC1KDM4ERAB9A
SCHEMBL7553825 0.79 HRH4 (0.53) ACHEALDH1A1NPC1KDM4EAMY1A

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 5 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 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 ACHE 4652/4885ALDH1A1 2817/4885NPC1 385/4885

“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.