SCHEMBL5493355

SCHEMBL5493355

CN1CCOc2cc(C(=O)NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.63
MAOB P27338 4/20 0.56
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 6/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPK1 P28482 1/20 0.50
NTSR1 P30989 1/20 0.48
MCL1 Q07820 1/20 0.47

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
SCHEMBL14364237 0.93 CCR2 (0.64) CCR2MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL5489790 0.87 CCR2 (0.64) CCR2MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL5491143 0.82 MAOB (0.56) CCR2MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL6180457 0.81 CCR2 (0.49) CCR2MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL5496367 0.80 CCR2 (0.53) CCR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6179586 0.80 PTGER3 (0.49) CCR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL10238352 0.79 SMN1; SMN2 (0.56) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6125954 0.78 PTGER3 (0.56) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8773512 0.78 PTGER3 (0.56) MAOBRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5489349 0.77 RAB9A (0.71) CCR2MAOBRAB9ANPC1SMN1; 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 9 patents. 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
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

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 1/4885MAOB 2897/4885RAB9A 3267/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885MAOB 3302/4885RAB9A 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.