SCHEMBL6338952

SCHEMBL6338952

O=C(NC(CCN1CCC(Cc2ccccc2)CC1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.55
EPHX1 P07099 4/20 0.55
CCR3 P51677 2/20 0.55
SLC6A2 P23975 3/20 0.51
SLC6A3 Q01959 3/20 0.51
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
MAPK1 P28482 1/20 0.47
OPRM1 P35372 1/20 0.46

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
SCHEMBL6007211 0.80 SLC6A2 (0.60) CCR3SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL6331510 0.80 CCR3 (0.81) EPHX2EPHX1CCR3SLC6A2SLC6A3
SCHEMBL6008029 0.79 CCR3 (0.60) CCR3SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL6337374 0.79 CCR3 (0.77) EPHX2EPHX1CCR3SLC6A2SLC6A3
SCHEMBL6333237 0.78 CCR3 (0.61) CCR3SLC6A2SLC6A3
SCHEMBL7499307 0.77 EPHX2 (0.55) EPHX2EPHX1CCR3SLC6A2SLC6A3
SCHEMBL6008830 0.74 PRMT6 (0.63) CCR3SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL6214890 0.74 CCR3 (0.58) EPHX2EPHX1CCR3GRIN2DGRIN3B
SCHEMBL6214886 0.74 CCR3 (0.58) EPHX2EPHX1CCR3GRIN2DGRIN3B
SCHEMBL6215470 0.74 CCR3 (0.58) EPHX2EPHX1CCR3GRIN2DGRIN3B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058960-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-25 US claimed
EP-1140086-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP claimed
EP-1140086-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035451-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed
US-6906066-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-20040058960-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-25 US disclosed
US-6605623-B1 Prevention of asthma and other allergic diseases BRISTOL-MYERS SQUIBB PHARMA CO. 2003-08-12 US disclosed
EP-1140086-A4 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARM CO (US) 2002-04-03 EP disclosed
EP-1140086-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035451-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 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-20040058960-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR10 EPHX2 1687/4885EPHX1 1290/4885CCR3 1/4885

“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.