Sugi Predict

Sugi Predict / Compounds / SCHEMBL7159244

SCHEMBL7159244

SCHEMBL7159244

CN(CCN1CCCCC1)c1cccc(-c2nc3ncncc3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.51
▸ NPY5R Q15761 1/20 0.45
▸ AURKA O14965 2/20 0.43
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ TBK1 Q9UHD2 3/20 0.38
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ACHE P22303 4/20 0.37
▸ HTR7 P34969 2/20 0.36
▸ PARP1 P09874 1/20 0.36

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
SCHEMBL7171505 0.89 CCR2 (0.61) CCR2NPY5RAURKAMETAP2METAP1
SCHEMBL7554558 0.86 AURKA (0.61) CCR2NPY5RAURKAADORA2AADORA1
SCHEMBL7160102 0.85 CCR2 (0.52) CCR2TBK1ADORA2AADORA1CYP1A2
SCHEMBL7160108 0.85 NPY5R (0.43) CCR2NPY5RAURKAMETAP2METAP1
SCHEMBL7549560 0.83 CCR2 (0.56) CCR2NPY5RAURKAMETAP2METAP1
SCHEMBL7554509 0.81 CCR2 (0.56) CCR2NPY5RAURKAADORA2AADORA1
SCHEMBL7156999 0.81 HRH3 (0.44) CCR2NPY5RMETAP2METAP1TBK1
SCHEMBL7549699 0.81 CCR2 (0.60) CCR2CYP1A2CYP2D6GRIN2BHRH3
SCHEMBL7548839 0.78 CCR2 (0.81) CCR2CYP1A2CYP2D6GRIN2BHRH3
SCHEMBL8518566 0.78 CCR2 (0.45) CCR2TBK1ADORA2AADORA1HRH3

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 6 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
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 CCR2 2/4885NPY5R 649/4885AURKA 4675/4885

“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.