SCHEMBL3048648

SCHEMBL3048648

O=C(O)CCc1ccc(F)cc1OC[C@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.60
LMNA P02545 1/20 0.49
HRH1 P35367 3/20 0.47
CCR3 P51677 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MITF O75030 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
BACE1 P56817 4/20 0.45
CACNA1G O43497 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
ABCB1 P08183 2/20 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
SCHEMBL3048644 1.00 ABCB11 (0.60) ABCB11LMNAHRH1CCR3MEN1
Trifluoroacetic Acid SCHEMBL3144395 0.97 ABCB11 (0.57) ABCB11LMNAHRH1CCR3MEN1
SCHEMBL1950631 0.92 ABCB11 (0.60) ABCB11LMNAHRH1CCR3MEN1
SCHEMBL1950634 0.92 ABCB11 (0.60) ABCB11LMNAHRH1CCR3MEN1
SCHEMBL3145540 0.92 ABCB11 (0.61) ABCB11LMNAHRH1CCR3MEN1
SCHEMBL3145527 0.92 ABCB11 (0.61) ABCB11LMNAHRH1CCR3MEN1
Trifluoroacetic Acid SCHEMBL3150378 0.90 ABCB11 (0.57) ABCB11LMNAHRH1CCR3MEN1
SCHEMBL1950573 0.87 ABCB11 (0.60) ABCB11LMNAHRH1CCR3MEN1
SCHEMBL3150391 0.85 BCHE (0.45) ABCB11CCR3MEN1KMT2ABCHE
SCHEMBL1950574 0.84 ABCB11 (0.60) ABCB11LMNAHRH1CCR3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US claimed
US-20100144606-A1 COMBINATION 408 ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 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 (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 2468/4885HRH1 702/4885
US-20080242649-A1 New Combination 665 NR3C2, PTGER2, GRK5 ABCB11 2075/4885LMNA 3129/4885HRH1 453/4885
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone NR3C2, NR3C1, ARRB1 ABCB11 1971/4885LMNA 3077/4885HRH1 640/4885
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 ABCB11 477/4885LMNA 3377/4885HRH1 16/4885

“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.