SCHEMBL5384256

SCHEMBL5384256

Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN(CCCc2ccc(F)cc2)CC(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 1.00
CYP2D6 P10635 2/20 0.61
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
SCHEMBL5373050 0.89 CCR3 (1.00) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5387442 0.88 CCR3 (0.84) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5387780 0.86 CCR3 (0.79) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5383616 0.86 CCR3 (0.91) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5380562 0.84 CCR3 (1.00) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5383608 0.81 CCR3 (0.70) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5378309 0.81 CCR3 (0.70) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL5382039 0.80 CCR3 (1.00) CCR3
SCHEMBL5382031 0.80 CCR3 (1.00) CCR3
SCHEMBL5393300 0.79 CCR3 (0.80) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10401365-B2 Inhibition of chemokine CCL7 or receptor CCR3 of same for the treatment and diagnosis of prostate cancer UNIVERSITE PAUL SABATIER (TOULOUSE III) (FR) 2019-09-03 US disclosed
US-20170131282-A1 Inhibition of Chemokine CCL7 or Receptor CCR3 of Same for the Treatment and Diagnosis of Prostate Cancer INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-05-11 US disclosed
US-20170131282-A1 Inhibition of Chemokine CCL7 or Receptor CCR3 of Same for the Treatment and Diagnosis of Prostate Cancer INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-05-11 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-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 (3 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
US-20170131282-A1 Inhibition of Chemokine CCL7 or Receptor CCR3 of Same for the Treatment and Diagnosis of Prostate Cancer CCR3, CCR5, CCR1 CCR3 1/4885CYP2D6 3121/4885CXCR1 21/4885
US-10401365-B2 Inhibition of chemokine CCL7 or receptor CCR3 of same for the treatment and diagnosis of prostate cancer CCR3, CCR5, CCR1 CCR3 1/4885CYP2D6 3241/4885CXCR1 21/4885

“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.