SCHEMBL3677535

SCHEMBL3677535

CC(=O)Nc1ccc(OC(=O)c2ccco2)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.72
ABCB11 O95342 2/20 0.70
SIGMAR1 Q99720 1/20 0.42
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MCHR1 Q99705 4/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.37
CCR5 P51681 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

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
SCHEMBL4998445 0.91 ABCB11 (0.69) CCR1ABCB11SIGMAR1KMT2AALDH1A1
SCHEMBL2061810 0.90 ABCB11 (0.75) CCR1ABCB11SIGMAR1KMT2AALDH1A1
Azd4818 SCHEMBL3677057 0.88 CCR1 (0.83) CCR1ABCB11SIGMAR1KMT2AALDH1A1
SCHEMBL4998454 0.84 CCR1 (0.68) CCR1ABCB11SIGMAR1KMT2AMCHR1
Azd4818 SCHEMBL523439 0.84 CCR1 (1.00) CCR1ABCB11SIGMAR1KMT2AMCHR1
Azd4818 SCHEMBL29395913 0.84 CCR1 (1.00) CCR1ABCB11SIGMAR1KMT2AMCHR1
Azd4818 SCHEMBL4377890 0.84 CCR1 (1.00) CCR1ABCB11SIGMAR1KMT2AMCHR1
SCHEMBL3677540 0.84 CCR1 (0.71) CCR1ABCB11SIGMAR1KMT2AALDH1A1
SCHEMBL4998146 0.84 CCR1 (0.71) CCR1ABCB11SIGMAR1KMT2AALDH1A1
SCHEMBL1682975 0.83 CCR1 (0.83) CCR1ABCB11SIGMAR1KMT2AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280951-A1 Salt Il ASTRAZENECA AB (SE) 2008-11-13 US claimed
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 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-20080280951-A1 Salt Il ASTRAZENECA AB (SE) 2008-11-13 US disclosed
US-20080280951-A1 Salt Il ASTRAZENECA AB (SE) 2008-11-13 US disclosed
CN-101238102-A Novel salt II ASTRAZENECA AB (SE) 2008-08-06 CN disclosed
EP-1922305-A1 NEW SALT II AstraZeneca AB (SE) 2008-05-21 EP disclosed
EP-1922305-A1 NEW SALT II AstraZeneca AB (SE) 2008-05-21 EP disclosed
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 disclosed
EP-1922074-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 disclosed
WO-2007024182-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 disclosed
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 disclosed
WO-2007015667-A1 NEW SALT II ASTRAZENECA AB (SE) 2007-02-08 WO disclosed
WO-2007015667-A1 NEW SALT II 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 1725/4885SIGMAR1 1475/4885
US-20080280951-A1 Salt Il IL2, IL4, IL5 CCR1 135/4885ABCB11 2217/4885SIGMAR1 1318/4885
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 2624/4885SIGMAR1 674/4885

“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.