SCHEMBL1682973

SCHEMBL1682973

C[C@](O)(CNC1CCN(Cc2ccc(Cl)cc2)CC1)COc1ccccc1CCO

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.69
CCR1 P32246 1/20 0.59
BCHE P06276 5/20 0.47
ACHE P22303 5/20 0.47
BACE1 P56817 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SSTR1 P30872 1/20 0.45
SSTR4 P31391 1/20 0.45
POLB P06746 1/20 0.45
CCR5 P51681 2/20 0.43
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30172191 1.00 ABCB11 (0.69) ABCB11CCR1BCHEACHEBACE1
Trifluoroacetic Acid SCHEMBL1950534 0.93 ABCB11 (0.66) ABCB11CCR1BCHEACHEBACE1
SCHEMBL3145745 0.89 ABCB11 (0.70) ABCB11CCR1BCHEACHEBACE1
SCHEMBL4712843 0.89 ABCB11 (0.69) ABCB11CCR1BCHEACHEBACE1
SCHEMBL3144689 0.89 ABCB11 (0.69) ABCB11CCR1BCHEACHEBACE1
SCHEMBL3135586 0.87 ABCB11 (0.67) ABCB11CCR1BCHEACHEBACE1
SCHEMBL3135724 0.87 ABCB11 (0.72) ABCB11CCR1BCHEACHEBACE1
Trifluoroacetic Acid SCHEMBL3141729 0.86 ABCB11 (0.66) ABCB11CCR1BCHEACHEBACE1
SCHEMBL1950533 0.84 ABCB11 (0.55) ABCB11CCR1BCHEACHEBACE1
Trifluoroacetic Acid SCHEMBL3149755 0.84 ABCB11 (0.67) ABCB11CCR1BCHEACHEBACE1

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 23 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
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
WO-2010004319-A1 COMBINATION COMPRISING 6-FLU0R0-N- ((1S, 4S) - 4- (6-FLUORO-2, 4-DI0X0-1- (4'- (PIPERAZIN-1- YLMETHYL) BIPHENYL- 3-YL) -1, 2-DIHYDROPYRIDO [2, 3-D] PYRIMIDIN-3 (4H) - YL) CYCLOHEXYL) IMIDAZO [1,2-A] PYRIDINE -2- CARBOXAMIDE OR A SALT ASTRAZENECA AB (SE) 2010-01-14 WO 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 1536/4885CCR1 24/4885BCHE 2830/4885
US-20080242649-A1 New Combination 665 NR3C2, PTGER2, GRK5 ABCB11 2075/4885CCR1 29/4885BCHE 2968/4885
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 1009/4885CCR1 1/4885BCHE 482/4885
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone NR3C2, NR3C1, ARRB1 ABCB11 1971/4885CCR1 103/4885BCHE 3739/4885

“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.