SCHEMBL4597520

SCHEMBL4597520

N#Cc1ccc(Oc2ccc(CBr)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EGLN1 Q9GZT9 1/20 0.43
MAP4K4 O95819 1/20 0.43
P2RX3 P56373 6/20 0.42
CYP19A1 P11511 2/20 0.42
MAOB P27338 1/20 0.41
PDE4B Q07343 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN7A Q01118 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8016836 0.91 OPRM1 (0.58) OPRM1GAAL3MBTL1EGLN1MAP4K4
SCHEMBL4609358 0.85 CYP2A6 (0.53) OPRM1GAAL3MBTL1EGLN1MAP4K4
SCHEMBL12775734 0.81 OPRM1 (0.49) OPRM1GAAL3MBTL1EGLN1MAP4K4
SCHEMBL3264554 0.80 PARP15 (0.49) CYP19A1MAOBLMNA
SCHEMBL24665120 0.80 OPRM1 (0.46) OPRM1GAAL3MBTL1MAP4K4P2RX3
SCHEMBL8023066 0.80 RAB9A (0.44) GAAL3MBTL1MAP4K4HTT
SCHEMBL8026494 0.80 L3MBTL1 (0.44) GAAL3MBTL1EGLN1P2RX3HTT
SCHEMBL23361429 0.80 KDM4E (0.58) OPRM1GAAL3MBTL1EGLN1MAP4K4
SCHEMBL30731726 0.80 OPRM1 (0.46) OPRM1GAAL3MBTL1MAP4K4P2RX3
SCHEMBL4536002 0.79 LTA4H (0.45) OPRM1HTT

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 OPRM1 205/4885GAA 4340/4885L3MBTL1 3305/4885

“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.