SCHEMBL5489790

SCHEMBL5489790

CN1CCOc2cc(C(=O)NC(=O)Nc3cccc(Cl)c3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.64
NPC1 O15118 8/20 0.56
RAB9A P51151 7/20 0.56
MAOB P27338 1/20 0.56
PTGER3 P43115 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL5491143 0.88 MAOB (0.56) CCR2NPC1RAB9AMAOBPTGER3
SCHEMBL5493355 0.87 CCR2 (0.63) CCR2NPC1RAB9AMAOBPTGER3
SCHEMBL6179586 0.85 PTGER3 (0.49) CCR2NPC1RAB9APTGER3SMN1; SMN2
SCHEMBL6180457 0.81 CCR2 (0.49) CCR2NPC1RAB9AMAOBPTGER3
SCHEMBL5496367 0.80 CCR2 (0.53) CCR2NPC1RAB9APTGER3SMN1; SMN2
SCHEMBL14364237 0.79 CCR2 (0.64) CCR2NPC1RAB9AMAOBPTGER3
SCHEMBL5783317 0.78 CCR2 (0.70) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL14881901 0.75 PTGER3 (0.55) NPC1RAB9APTGER3SMN1; SMN2HPGD
SCHEMBL6125954 0.74 PTGER3 (0.56) NPC1RAB9AMAOBPTGER3SMN1; SMN2
SCHEMBL8773512 0.74 PTGER3 (0.56) NPC1RAB9AMAOBPTGER3SMN1; SMN2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US claimed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO claimed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP claimed
EP-0883405-A4 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-04-28 EP claimed
EP-0883405-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-12-16 EP claimed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP claimed
WO-1997047299-A1 AMIDINO AND GUANIDINO HETEROCYCLIC PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-12-18 WO claimed
WO-1997024135-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-07-10 WO claimed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US disclosed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 US disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
WO-1998024760-A1 AMINOBENZENEDICARBOXYLIC ACID-BASED COMBINATORIAL LIBRARIES GRAYBILL TODD L (US) 1998-06-11 WO disclosed
WO-1997024135-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 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 (2 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885NPC1 877/4885RAB9A 3267/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885NPC1 686/4885RAB9A 3249/4885

“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.