SCHEMBL4666533

SCHEMBL4666533

C[C@](O)(CNC1CCN(Cc2ccc(Cl)cc2)CC1)COc1cc(O)c(Cl)cc1NC(=O)COC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.61
CCR1 P32246 1/20 0.60
POLB P06746 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MCHR1 Q99705 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
LMNA P02545 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
CCR2 P41597 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL2061814 0.91 CCR1 (0.74) ABCB11CCR1POLBL3MBTL1MCHR1
SCHEMBL4998451 0.90 CCR1 (0.58) ABCB11CCR1POLBL3MBTL1MCHR1
Benzoic Acid SCHEMBL4998239 0.88 ABCB11 (0.72) ABCB11CCR1MCHR1SIGMAR1DRD4
SCHEMBL3675985 0.87 CCR1 (0.68) ABCB11CCR1MCHR1SIGMAR1DRD4
SCHEMBL1950538 0.86 CCR1 (0.80) ABCB11CCR1MCHR1SIGMAR1MAOB
SCHEMBL4666529 0.84 ABCB11 (0.73) ABCB11CCR1MCHR1SIGMAR1DRD2
SCHEMBL4668083 0.84 ABCB11 (0.73) ABCB11CCR1MCHR1SIGMAR1DRD2
Sulfuric Acid SCHEMBL1952168 0.83 CCR1 (0.76) ABCB11CCR1MCHR1SIGMAR1MEN1
SCHEMBL13508853 0.81 CCR1 (0.64) ABCB11CCR1MCHR1SIGMAR1LMNA
SCHEMBL4998454 0.81 CCR1 (0.68) ABCB11CCR1MCHR1SIGMAR1LMNA

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 4/4885POLB 1184/4885

“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.