SCHEMBL4597823

SCHEMBL4597823

CC1CN(C2CCCCC2)C(=O)N1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 1/20 0.43
HCAR1 Q9BXC0 1/20 0.41
FPR2 P25090 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OGFRL1 Q5TC84 2/20 0.41
USP30 Q70CQ3 2/20 0.40
GPR119 Q8TDV5 3/20 0.39
RECQL P46063 1/20 0.39
OPRK1 P41145 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 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
SCHEMBL27747244 0.82 CCR5 (0.37)
SCHEMBL5573741 0.77 CCR5 (0.51) KDM4EMAPTTHRBTP53HCAR1
SCHEMBL5573734 0.77 CCR5 (0.51) KDM4EMAPTTHRBTP53HCAR1
SCHEMBL5576084 0.77 CCR5 (0.54) MAPTTP53
SCHEMBL5576089 0.77 CCR5 (0.54) MAPTTP53
SCHEMBL1930034 0.75 EPHX1 (0.48) EPHX1HPGDKDM4EMAPTTHRB
SCHEMBL27175858 0.75 FPR2 (0.52) EPHX1HPGDKDM4EMAPTTHRB
SCHEMBL3409479 0.74 EPHX1 (0.44) EPHX1HPGDKDM4EMAPTTHRB
SCHEMBL5576799 0.74 CCR5 (0.34) TP53OPRM1
SCHEMBL5576794 0.74 CCR5 (0.34) TP53OPRM1

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 3 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
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 EPHX1 1750/4885HPGD 1736/4885KDM4E 3689/4885

“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.