SCHEMBL4666529

SCHEMBL4666529

CC(=O)Nc1cc(Cl)c(OC(=O)c2ccccc2)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.73
CCR1 P32246 1/20 0.70
SIGMAR1 Q99720 2/20 0.42
MCHR1 Q99705 1/20 0.41
CCR5 P51681 4/20 0.41
CCR2 P41597 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
SLC6A12 P48065 1/20 0.40
DRD4 P21917 2/20 0.39
MAOB P27338 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL4668083 1.00 ABCB11 (0.73) ABCB11CCR1SIGMAR1MCHR1CCR5
SCHEMBL2061810 0.90 ABCB11 (0.75) ABCB11CCR1SIGMAR1MCHR1CCR5
SCHEMBL4998445 0.90 ABCB11 (0.69) ABCB11CCR1SIGMAR1MCHR1CCR5
Benzoic Acid SCHEMBL4998239 0.89 ABCB11 (0.72) ABCB11CCR1SIGMAR1MCHR1CCR5
SCHEMBL1950538 0.87 CCR1 (0.80) ABCB11CCR1SIGMAR1MCHR1CCR5
Azd4818 SCHEMBL2061809 0.85 CCR1 (0.88) ABCB11CCR1SIGMAR1MCHR1CCR5
SCHEMBL3807493 0.85 ABCB11 (1.00) ABCB11CCR1SIGMAR1MCHR1CCR5
SCHEMBL3814775 0.85 ABCB11 (1.00) ABCB11CCR1SIGMAR1MCHR1CCR5
SCHEMBL3810728 0.85 ABCB11 (1.00) ABCB11CCR1SIGMAR1MCHR1CCR5
SCHEMBL4666533 0.84 ABCB11 (0.61) ABCB11CCR1SIGMAR1MCHR1CCR5

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-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-08-14 US claimed
US-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1912942-A1 NOVEL PIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF RESPIRATORY DISEASES. AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007015664-A1 NOVEL PIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF RESPIRATORY DISEASES. ASTRAZENECA AB (SE) 2007-02-08 WO 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-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ACKR3, CCR5, CCR2 ABCB11 760/4885CCR1 4/4885SIGMAR1 216/4885

“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.