SCHEMBL3048642

SCHEMBL3048642

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.62
LMNA P02545 1/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MITF O75030 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HRH1 P35367 4/20 0.47
CCR3 P51677 4/20 0.47
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
CACNA1G O43497 1/20 0.43
KCNH2 Q12809 1/20 0.43
BCHE P06276 3/20 0.42
ACHE P22303 3/20 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
SCHEMBL30172121 0.93 ABCB11 (0.61) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL1950574 0.90 ABCB11 (0.60) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL3145189 0.90 ABCB11 (0.71) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL3145179 0.90 ABCB11 (0.71) ABCB11LMNAMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL3150804 0.87 ABCB11 (0.65) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL1950573 0.87 ABCB11 (0.60) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL1950572 0.86 ABCB11 (0.61) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL1682971 0.85 ABCB11 (0.64) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL1682972 0.85 ABCB11 (0.64) ABCB11LMNAMEN1KMT2AKDM4E
SCHEMBL3145540 0.85 ABCB11 (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20100144606-A1 COMBINATION 408 NR3C2, PTGER2, LTB4R2 ABCB11 1536/4885LMNA 2468/4885MEN1 4845/4885
US-20080242649-A1 New Combination 665 NR3C2, PTGER2, GRK5 ABCB11 2075/4885LMNA 3129/4885MEN1 4750/4885
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone NR3C2, NR3C1, ARRB1 ABCB11 1971/4885LMNA 3077/4885MEN1 4742/4885

“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.