SCHEMBL3675985

SCHEMBL3675985

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.68
ABCB11 O95342 2/20 0.64
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
CCR5 P51681 3/20 0.39
MCHR1 Q99705 2/20 0.39
KMT2A Q03164 2/20 0.38
TEAD1 P28347 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37

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
SCHEMBL1950538 0.92 CCR1 (0.80) CCR1ABCB11SIGMAR1CCR5MCHR1
SCHEMBL14607025 0.91 CCR1 (0.56) CCR1ABCB11DRD4SIGMAR1CCR5
SCHEMBL13508853 0.90 CCR1 (0.64) CCR1ABCB11SIGMAR1CCR5MCHR1
SCHEMBL14093756 0.89 CCR1 (0.85) CCR1ABCB11DRD4SIGMAR1CCR5
Sulfuric Acid SCHEMBL1952168 0.89 CCR1 (0.76) CCR1ABCB11SIGMAR1CCR5MCHR1
SCHEMBL4666533 0.87 ABCB11 (0.61) CCR1ABCB11DRD4SIGMAR1CCR5
Benzoic Acid SCHEMBL4998239 0.86 ABCB11 (0.72) CCR1ABCB11DRD4SIGMAR1CCR5
SCHEMBL4998451 0.86 CCR1 (0.58) CCR1ABCB11SIGMAR1MCHR1KMT2A
SCHEMBL14607094 0.85 CCR1 (0.48) CCR1ABCB11DRD4SIGMAR1CCR5
SCHEMBL4998454 0.84 CCR1 (0.68) CCR1ABCB11DRD4SIGMAR1CCR5

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922074-B1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA. ASTRAZENECA AB (SE) 2010-02-17 EP claimed
US-20090298875-A1 A Combination of Compounds, Which Can be Used in the Treatment of Respiratory Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2009-12-03 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 claimed
EP-1922070-A1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2008-05-21 EP claimed
WO-2007024183-A1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2007-03-01 WO claimed
US-20090298875-A1 A Combination of Compounds, Which Can be Used in the Treatment of Respiratory Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298875-A1 A Combination of Compounds, Which Can be Used in the Treatment of Respiratory Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298875-A1 A Combination of Compounds, Which Can be Used in the Treatment of Respiratory Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090215732-A1 COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090215732-A1 COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2009-08-27 US disclosed
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
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
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 (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-20090215732-A1 COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA NR3C1, NR3C2, CHRM3 CCR1 71/4885ABCB11 1725/4885DRD4 577/4885
US-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ACKR3, CCR5, CCR2 CCR1 4/4885ABCB11 760/4885DRD4 596/4885
US-20090298875-A1 A Combination of Compounds, Which Can be Used in the Treatment of Respiratory Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ADRB2, ADRB1, CHRM2 CCR1 242/4885ABCB11 2624/4885DRD4 520/4885

“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.