SCHEMBL3141808

SCHEMBL3141808

C[C@](O)(CNC1CCN(Cc2ccc(Cl)cc2)CC1)COc1ccccc1C1(C(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.69
CCR1 P32246 1/20 0.59
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MCHR1 Q99705 1/20 0.44
CCR8 P51685 3/20 0.43
ACKR3 P25106 2/20 0.41
SSTR1 P30872 1/20 0.41
SSTR4 P31391 1/20 0.41
SLC6A12 P48065 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
Trifluoroacetic Acid SCHEMBL3143853 0.96 ABCB11 (0.64) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3135724 0.83 ABCB11 (0.72) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3140521 0.82 ABCB11 (0.70) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3145745 0.82 ABCB11 (0.70) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3810728 0.82 ABCB11 (1.00) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3807493 0.82 ABCB11 (1.00) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3809362 0.82 ABCB11 (0.72) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3814775 0.82 ABCB11 (1.00) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL1682982 0.81 ABCB11 (0.72) ABCB11CCR1MEN1KMT2ABCHE
SCHEMBL3809463 0.81 ABCB11 (0.82) ABCB11CCR1MEN1KMT2ABCHE

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 477/4885CCR1 1/4885MEN1 4733/4885

“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.