SCHEMBL1682971

SCHEMBL1682971

COC(=O)c1ccc(F)cc1OC[C@@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.64
LMNA P02545 1/20 0.52
CCR3 P51677 4/20 0.50
HRH1 P35367 3/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KCNH2 Q12809 2/20 0.46
CACNA1G O43497 1/20 0.46
ATF4 P18848 3/20 0.44
CCR1 P32246 1/20 0.44
MCHR1 Q99705 1/20 0.43
CNR1 P21554 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL1682972 1.00 ABCB11 (0.64) ABCB11LMNACCR3HRH1KDM4E
Trifluoroacetic Acid SCHEMBL1950889 0.95 ABCB11 (0.59) ABCB11LMNACCR3HRH1KDM4E
SCHEMBL1950891 0.86 ABCB11 (0.48) ABCB11LMNACCR3KCNH2CCR1
SCHEMBL30172121 0.86 ABCB11 (0.61) ABCB11LMNACCR3HRH1KDM4E
SCHEMBL3813054 0.85 ABCB11 (0.81) ABCB11LMNACCR3HRH1KDM4E
SCHEMBL3813060 0.85 ABCB11 (0.81) ABCB11LMNACCR3HRH1KDM4E
SCHEMBL3813533 0.85 ABCB11 (0.81) ABCB11LMNACCR3HRH1KDM4E
SCHEMBL1950631 0.85 ABCB11 (0.60) ABCB11LMNACCR3HRH1KDM4E
SCHEMBL1950634 0.85 ABCB11 (0.60) ABCB11LMNACCR3HRH1KDM4E
SCHEMBL3048642 0.85 ABCB11 (0.62) ABCB11LMNACCR3HRH1KDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-06-09 US claimed
EP-2125728-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-12-02 EP claimed
WO-2008104776-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-09-04 WO claimed
WO-2008103125-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2008-08-28 WO claimed
WO-2023280828-A1 A PHARMACEUTICAL COMPOSITION COMPRISING BAY 86-5277 AND SALTS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTIONS AND HYPERINFLAMMATION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2023-01-12 WO disclosed
EP-4115885-A1 A PHARMACEUTICAL COMPOSITION COMPRISING BAY 86-5277 AND SALTS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTIONS AND HYPERINFLAMMATION Charité - Universitätsmedizin Berlin (DE) 2023-01-11 EP disclosed
EP-2364704-A1 Combination of beta-adrenoceptor agonist and corticosteroid AstraZeneca AB (SE) 2011-09-14 EP disclosed
WO-2011073662-A1 COMBINATION OF A BENZOXAZINONE AND A FURTHER AGENT FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-06-23 WO disclosed
US-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-06-09 US disclosed
EP-2303266-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2011-04-06 EP disclosed
US-20100144606-A1 COMBINATION 408 ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-2117542-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE AstraZeneca AB (SE) 2009-11-18 EP disclosed
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
US-20080242649-A1 New Combination 665 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
WO-2008104776-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-09-04 WO disclosed
WO-2008103125-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2008-08-28 WO disclosed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096111-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 WO disclosed
WO-2008096121-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 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 (4 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-20100144606-A1 COMBINATION 408 NR3C2, PTGER2, LTB4R2 ABCB11 1536/4885LMNA 2468/4885CCR3 301/4885
US-20080242649-A1 New Combination 665 NR3C2, PTGER2, GRK5 ABCB11 2075/4885LMNA 3129/4885CCR3 289/4885
US-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma CCR1, CCR5, CCR3 ABCB11 1009/4885LMNA 3862/4885CCR3 3/4885
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone NR3C2, NR3C1, ARRB1 ABCB11 1971/4885LMNA 3077/4885CCR3 546/4885

“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.