SCHEMBL5379017

SCHEMBL5379017

CC(=O)c1sc(NC(=O)N[C@@H]2C[C@H](N(C)C(C)=O)CC[C@H]2CN(C)CC(C)(C)Cc2ccc(F)cc2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.47
CYP2D6 P10635 19/20 0.47
CXCR1 P25024 1/20 0.47
CXCR2 P25025 1/20 0.47
CCR1 P32246 1/20 0.47
CCR2 P41597 1/20 0.47
CCR5 P51681 1/20 0.47
DRD2 P14416 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL14357143 1.00 CCR3 (0.47) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5381873 1.00 CCR3 (0.47) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5378339 0.88 CCR3 (0.45) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5393229 0.88 CCR3 (0.45) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5384056 0.87 CCR3 (0.48) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5378128 0.87 CCR3 (0.48) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL4937847 0.87 CCR3 (0.48) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5387413 0.83 CCR3 (0.47) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5383318 0.83 CCR3 (0.47) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5378273 0.81 CCR3 (0.49) CCR3CYP2D6CXCR1CXCR2CCR1

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 2 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-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 18/4885CYP2D6 3192/4885CXCR1 11/4885

“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.