SCHEMBL6355633

SCHEMBL6355633

COC(=O)N1CC[C@@H](NC(=O)Nc2cc(C(C)=O)cc(C(C)=O)c2)[C@H](CN2CCCC(Cc3ccc(F)cc3)C2)C1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.79
CYP2D6 P10635 9/20 0.70
DRD2 P14416 1/20 0.69
SLC6A2 P23975 1/20 0.69
HTR2A P28223 1/20 0.69
SLC6A4 P31645 1/20 0.69
SLC6A3 Q01959 1/20 0.69
KCNH2 Q12809 1/20 0.69

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
SCHEMBL6355632 1.00 CCR3 (0.79) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6348762 0.94 CCR3 (0.79) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6348768 0.94 CCR3 (0.79) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6357327 0.93 CCR3 (0.82) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6357330 0.93 CCR3 (0.82) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6346592 0.93 CCR3 (0.74) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6346595 0.93 CCR3 (0.74) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6348448 0.91 CCR3 (0.75) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6348451 0.91 CCR3 (0.75) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6344100 0.90 CCR3 (0.85) CCR3CYP2D6DRD2SLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 US claimed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US claimed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 US claimed
US-6949546-B2 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-27 US disclosed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 US disclosed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US disclosed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 US 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 (2 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-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 CCR3 1/4885CYP2D6 2961/4885DRD2 1327/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 CCR3 1/4885CYP2D6 2961/4885DRD2 1327/4885

“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.