SCHEMBL3150600

SCHEMBL3150600

O=C(O)Cc1ccccc1OC[C@@H](O)CNC1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.60
LMNA P02545 2/20 0.58
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
KDM4E B2RXH2 2/20 0.54
MITF O75030 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
BCHE P06276 3/20 0.53
ACHE P22303 3/20 0.53
BACE1 P56817 3/20 0.53
SIGMAR1 Q99720 6/20 0.53
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
POLB P06746 1/20 0.48
SLC6A12 P48065 1/20 0.48

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
SCHEMBL3150611 1.00 ABCB11 (0.60) ABCB11LMNAKMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL3145788 0.96 ABCB11 (0.56) ABCB11LMNAKMT2AMEN1KDM4E
SCHEMBL3150449 0.92 ABCB11 (0.59) ABCB11LMNAKMT2AMEN1KDM4E
SCHEMBL3150457 0.92 ABCB11 (0.59) ABCB11LMNAKMT2AMEN1KDM4E
SCHEMBL3135964 0.91 ABCB11 (0.57) ABCB11LMNAKMT2AMEN1KDM4E
SCHEMBL3135950 0.91 ABCB11 (0.57) ABCB11LMNAKMT2AMEN1KDM4E
SCHEMBL3135915 0.91 ABCB11 (0.59) ABCB11LMNAKMT2AMEN1KDM4E
SCHEMBL3135904 0.91 ABCB11 (0.59) ABCB11LMNAKMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL3141896 0.89 ABCB11 (0.55) ABCB11LMNAKMT2AMEN1KDM4E
SCHEMBL3141868 0.89 ABCB11 (0.52) ABCB11LMNAKMT2AMEN1KDM4E

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 6 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
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP claimed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 WO claimed
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
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 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 (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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 ABCB11 477/4885LMNA 3377/4885KMT2A 2792/4885

“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.