SCHEMBL6403335

SCHEMBL6403335

CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 1.00
CYP2D6 P10635 2/20 1.00
DRD2 P14416 1/20 1.00
SLC6A2 P23975 1/20 1.00
HTR2A P28223 1/20 1.00
SLC6A4 P31645 1/20 1.00
SLC6A3 Q01959 1/20 1.00
KCNH2 Q12809 1/20 1.00
CXCR1 P25024 1/20 0.72
CXCR2 P25025 1/20 0.72
CCR1 P32246 1/20 0.72
CCR2 P41597 1/20 0.72
CCR5 P51681 1/20 0.72

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
SCHEMBL18840907 1.00 CCR3 (1.00) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL29372294 1.00 CCR3 (1.00) CCR3CYP2D6DRD2SLC6A2HTR2A
Hydrochloric Acid SCHEMBL6421288 0.99 CCR3 (0.98) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL7550158 0.98 CCR3 (0.97) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL1223759 0.93 CCR3 (0.87) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL1223755 0.93 CCR3 (0.87) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL18840884 0.93 CCR3 (1.00) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6348167 0.92 CCR3 (0.85) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6345564 0.92 CCR3 (0.85) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL6345562 0.92 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 5 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-6906066-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-20040058960-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-25 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-20040058960-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR10 CCR3 1/4885CYP2D6 3262/4885DRD2 1266/4885
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 3121/4885DRD2 2904/4885
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 3241/4885DRD2 2910/4885

“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.