SCHEMBL6331012

SCHEMBL6331012

O=C(NCCCN1CCCC(CCc2ccccc2)C1)Nc1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.72
CCR3 P51677 17/20 0.61
CYP2D6 P10635 4/20 0.61
KMT2A Q03164 1/20 0.57
HTR3A P46098 1/20 0.54

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
SCHEMBL6331430 0.93 HTR2A (0.78) HTR2ACCR3CYP2D6KMT2AHTR3A
SCHEMBL6331000 0.90 CCR3 (0.73) HTR2ACCR3CYP2D6
SCHEMBL6337739 0.87 CCR3 (0.79) HTR2ACCR3CYP2D6
SCHEMBL6331117 0.85 CCR3 (0.79) HTR2ACCR3CYP2D6
SCHEMBL6335941 0.85 HTR2A (0.68) HTR2ACCR3CYP2D6KMT2A
SCHEMBL6329369 0.84 CCR3 (0.77) HTR2ACCR3CYP2D6
SCHEMBL6328544 0.84 HTR2A (1.00) HTR2ACCR3CYP2D6KMT2A
SCHEMBL6335958 0.84 CCR3 (0.75) HTR2ACCR3CYP2D6
SCHEMBL6330505 0.83 CCR3 (0.78) HTR2ACCR3CYP2D6KMT2A
SCHEMBL6338964 0.83 CCR3 (0.73) HTR2ACCR3CYP2D6

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 1/4885CYP2D6 3262/4885

“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.