SCHEMBL5373014

SCHEMBL5373014

CC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](N(C)C(C)=O)CC[C@H]2CN(C)CCCc2ccc(F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 18/20 0.55
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
SLC6A3 Q01959 4/20 0.45
HTR2A P28223 2/20 0.45
CYP2D6 P10635 2/20 0.45
DRD2 P14416 1/20 0.45
KCNH2 Q12809 1/20 0.45
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5381958 1.00 CCR3 (0.55) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL5378235 0.93 CCR3 (0.48) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL5373024 0.93 CCR3 (0.48) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL5379001 0.85 CCR3 (0.80) CCR3CYP2D6
SCHEMBL5383504 0.85 CCR3 (0.80) CCR3CYP2D6
SCHEMBL5393300 0.85 CCR3 (0.80) CCR3CYP2D6
SCHEMBL5383952 0.82 CCR3 (0.52) CCR3
SCHEMBL4792181 0.82 CCR3 (0.49) CCR3
SCHEMBL5383613 0.82 CCR3 (0.52) CCR3
SCHEMBL5383598 0.82 CCR3 (0.52) CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 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 (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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 CCR3 18/4885SLC6A2 1539/4885SLC6A4 1689/4885

“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.