SCHEMBL4240602

SCHEMBL4240602

CC(C)(C)OC(=O)N1CCC(C(Oc2ccccc2)c2ccc(Br)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.49
GPR119 Q8TDV5 4/20 0.49
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RORC P51449 2/20 0.44
USP30 Q70CQ3 1/20 0.43
DPP4 P27487 1/20 0.43
STS P08842 1/20 0.43
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43
FPR2 P25090 1/20 0.43
IDO1 P14902 1/20 0.42

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
SCHEMBL4240598 1.00 CCR5 (0.49) CCR5GPR119KDM4EPKMNPC1
SCHEMBL4236630 0.87 CCR5 (0.51) CCR5GPR119KDM4EPKMNPC1
SCHEMBL4236631 0.87 CCR5 (0.51) CCR5GPR119KDM4EPKMNPC1
SCHEMBL1155958 0.85 GPR119 (0.50) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL4244414 0.83 CCR5 (0.53) CCR5GPR119NPC1ALDH1A1MAPT
SCHEMBL17892073 0.82 NPC1 (0.51) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL17892077 0.82 NPC1 (0.51) GPR119KDM4EPKMNPC1ALDH1A1
SCHEMBL4245272 0.81 CCR5 (0.44) CCR5GPR119NPC1ALDH1A1MAPT
SCHEMBL4240590 0.81 CCR5 (0.48) CCR5GPR119NPC1ALDH1A1MAPT
SCHEMBL6375289 0.80 GPR119 (0.56) GPR119KDM4EPKMNPC1ALDH1A1

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-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885GPR119 207/4885KDM4E 4532/4885

“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.