SCHEMBL4240541

SCHEMBL4240541

CC(C)(C)OC(=O)N1CCC(C2(c3ccccc3-c3ccc(Br)cc3)OC=CO2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.43
GPR119 Q8TDV5 6/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
ESRRB O95718 1/20 0.41
ESR1 P03372 1/20 0.41
ESRRA P11474 1/20 0.41
ESRRG P62508 1/20 0.41
FPR2 P25090 4/20 0.40
FPR3 P25089 2/20 0.40
PDK2 Q15119 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
USP30 Q70CQ3 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39

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
SCHEMBL4241776 0.89 GPR119 (0.50) GPR119PTPN2PTPN1PTPN6PDK2
SCHEMBL4245265 0.88 GPR119 (0.41) GPR119PTPN2PTPN1PTPN6PDK2
SCHEMBL4240559 0.88 GPR119 (0.51) GPR119
SCHEMBL4241249 0.88 GPR119 (0.51) GPR119PTPN2PTPN1PTPN6
SCHEMBL4240538 0.76 RORC (0.54) RORCGPR119PTPN2PTPN1PTPN6
SCHEMBL6735009 0.74 ALDH1A1 (0.52) GPR119PTPN2PTPN1PTPN6FPR2
SCHEMBL4240748 0.73 HRH1 (0.35)
SCHEMBL180505 0.69 NAMPT (0.60) RORCGPR119PTPN2PTPN1PTPN6
SCHEMBL18321535 0.67 ALDH1A1 (0.55) GPR119PTPN2PTPN1PTPN6FPR2
SCHEMBL3842743 0.67 MEN1 (0.57) RORCGPR119FPR2KDM4EPKM

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 207/4885PTPN2 1136/4885

“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.