SCHEMBL4240538

SCHEMBL4240538

CC(C)(C)OC(=O)N1CCC(C2(c3ccc(Br)cc3)Oc3ccccc3O2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.54
GPR119 Q8TDV5 5/20 0.46
FPR2 P25090 5/20 0.43
FPR3 P25089 3/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
STS P08842 1/20 0.41
USP30 Q70CQ3 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL4241775 0.87 GPR119 (0.54) RORCGPR119KDM4EPKMPTPN2
SCHEMBL4241246 0.86 GPR119 (0.53) RORCGPR119KDM4EPKMSTS
SCHEMBL4245263 0.86 GPR119 (0.44) RORCGPR119KDM4EPKMPTPN2
SCHEMBL4240557 0.86 GPR119 (0.55) GPR119
SCHEMBL4240541 0.76 RORC (0.43) RORCGPR119FPR2FPR3KDM4E
SCHEMBL4240445 0.76 GPR119 (0.49) RORCGPR119
SCHEMBL4244967 0.76 GPR119 (0.50) GPR119
SCHEMBL12183699 0.73 GPR119 (0.48) GPR119KDM4EPKMPTPN2PTPN1
SCHEMBL12183728 0.72 HRH3 (0.44) RORCGPR119FPR2FPR3KDM4E
SCHEMBL4239988 0.72 CCR5 (0.49)

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 RORC 105/4885GPR119 207/4885FPR2 57/4885

“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.