SCHEMBL1950573

SCHEMBL1950573

CC(Cc1ccc(F)cc1OC[C@@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.60
LMNA P02545 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HRH1 P35367 3/20 0.46
CCR3 P51677 3/20 0.46
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
BACE1 P56817 3/20 0.44
SIGMAR1 Q99720 5/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL3145540 0.88 ABCB11 (0.61) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL3145527 0.88 ABCB11 (0.61) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL3048648 0.87 ABCB11 (0.60) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL3048642 0.87 ABCB11 (0.62) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL3048644 0.87 ABCB11 (0.60) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL1950634 0.85 ABCB11 (0.60) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL1950631 0.85 ABCB11 (0.60) ABCB11LMNAMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL3150378 0.85 ABCB11 (0.57) ABCB11LMNAMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL3144395 0.84 ABCB11 (0.57) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL1950574 0.84 ABCB11 (0.60) ABCB11LMNAMEN1KMT2AKDM4E

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-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-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

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-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 3862/4885MEN1 4370/4885

“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.