SCHEMBL6355332

SCHEMBL6355332

CC(=O)c1cccc(NC(=O)N[C@H]2CN(CCO)CC[C@H]2CN2CCCC(Cc3ccc(F)cc3)C2)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.80
CYP2D6 P10635 5/20 0.80
HTR2A P28223 2/20 0.80
DRD2 P14416 1/20 0.80
SLC6A2 P23975 1/20 0.80
SLC6A4 P31645 1/20 0.80
SLC6A3 Q01959 1/20 0.80
KCNH2 Q12809 1/20 0.80
CXCR1 P25024 1/20 0.61
CXCR2 P25025 1/20 0.61
CCR1 P32246 1/20 0.61
CCR2 P41597 1/20 0.61
CCR5 P51681 1/20 0.61

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
SCHEMBL6355330 1.00 CCR3 (0.80) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6345564 0.92 CCR3 (0.85) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6345562 0.92 CCR3 (0.85) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6347861 0.89 CCR3 (0.83) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6347865 0.89 CCR3 (0.83) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL29372294 0.89 CCR3 (1.00) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL7550158 0.89 CCR3 (0.97) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL18840907 0.89 CCR3 (1.00) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6403335 0.89 CCR3 (1.00) CCR3CYP2D6HTR2ADRD2SLC6A2
SCHEMBL6355559 0.89 CCR3 (0.77) CCR3CYP2D6HTR2ADRD2SLC6A2

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 2961/4885HTR2A 1976/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 CCR3 1/4885CYP2D6 2961/4885HTR2A 1976/4885

“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.