SCHEMBL7554508

SCHEMBL7554508

CN(CCN1CCCCC1)c1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.72
ACHE P22303 7/20 0.62
DRD3 P35462 4/20 0.52
HTT P42858 1/20 0.47
DRD2 P14416 3/20 0.47
HRH3 Q9Y5N1 2/20 0.46
EPHX2 P34913 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL7549699 0.89 CCR2 (0.60) CCR2ACHEDRD3HTTHRH3
SCHEMBL7553543 0.89 CCR2 (0.79) CCR2ACHEDRD3DRD2HRH3
SCHEMBL7549628 0.88 CCR2 (0.71) CCR2ACHEDRD2HDAC6
SCHEMBL7160131 0.86 CCR2 (0.74) CCR2ACHENPC1RAB9A
SCHEMBL7553600 0.86 CCR2 (0.68) CCR2ACHEDRD3HRH3NPC1
SCHEMBL7546028 0.86 CCR2 (0.68) CCR2ACHEDRD3HRH3NPC1
SCHEMBL7548314 0.85 CCR2 (0.67) CCR2ACHEDRD2HRH3HDAC6
SCHEMBL7546720 0.85 CCR2 (0.79) CCR2ACHEDRD3DRD2
SCHEMBL7548595 0.85 CCR2 (0.73) CCR2ACHE
SCHEMBL7550045 0.85 CCR2 (0.79) CCR2ACHENPC1RAB9AKDM4E

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 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
US-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 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 CCR2 2/4885ACHE 4652/4885DRD3 2302/4885

“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.