SCHEMBL6328544

SCHEMBL6328544

COc1cccc(NC(=O)NCCCN2CCCC(CCc3ccccc3)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 1.00
CCR3 P51677 15/20 0.84
KMT2A Q03164 1/20 0.61
CYP2D6 P10635 3/20 0.58
ALOX15 P16050 1/20 0.55
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL6216958 0.91 CCR3 (1.00) HTR2ACCR3CYP2D6ALOX15
SCHEMBL6331430 0.88 HTR2A (0.78) HTR2ACCR3KMT2ACYP2D6
SCHEMBL6336140 0.85 HTR2A (0.74) HTR2ACCR3CYP2D6MAPT
SCHEMBL6331972 0.85 CCR3 (0.84) HTR2ACCR3CYP2D6ALOX15
SCHEMBL6330867 0.85 CCR3 (0.84) HTR2ACCR3
SCHEMBL6339155 0.85 CCR3 (0.87) HTR2ACCR3CYP2D6ALOX15
SCHEMBL6331012 0.84 HTR2A (0.72) HTR2ACCR3KMT2ACYP2D6
SCHEMBL6329839 0.83 CCR3 (0.79) HTR2ACCR3CYP2D6ALOX15
SCHEMBL7577072 0.83 CCR3 (0.84) HTR2ACCR3CYP2D6
SCHEMBL6339192 0.82 CCR3 (0.83) HTR2ACCR3CYP2D6ALOX15

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 HTR2A 1608/4885CCR3 1/4885KMT2A 4287/4885

“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.