SCHEMBL3135586

SCHEMBL3135586

C[C@](O)(CNC1CCN(Cc2ccc(Cl)cc2)CC1)COc1ccccc1CC#N

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.67
CCR1 P32246 1/20 0.57
BCHE P06276 5/20 0.45
ACHE P22303 5/20 0.45
BACE1 P56817 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SSTR1 P30872 1/20 0.44
SSTR4 P31391 1/20 0.44
POLB P06746 1/20 0.44
CCR5 P51681 2/20 0.42
SIGMAR1 Q99720 2/20 0.40
HTR1A P08908 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3144419 0.90 ABCB11 (0.59) ABCB11CCR1BCHEACHEBACE1
SCHEMBL30172191 0.87 ABCB11 (0.69) ABCB11CCR1BCHEACHEBACE1
SCHEMBL1682973 0.87 ABCB11 (0.69) ABCB11CCR1BCHEACHEBACE1
SCHEMBL3150386 0.87 ABCB11 (0.69) ABCB11CCR1BCHEACHEBACE1
SCHEMBL3135724 0.86 ABCB11 (0.72) ABCB11CCR1BCHEACHEBACE1
SCHEMBL3145745 0.84 ABCB11 (0.70) ABCB11CCR1BCHEACHEBACE1
SCHEMBL3144689 0.83 ABCB11 (0.69) ABCB11CCR1BCHEACHEBACE1
SCHEMBL4712843 0.83 ABCB11 (0.69) ABCB11CCR1BCHEACHEBACE1
Trifluoroacetic Acid SCHEMBL3149755 0.82 ABCB11 (0.67) ABCB11CCR1BCHEACHEBACE1
SCHEMBL3053294 0.82 ABCB11 (0.69) ABCB11CCR1BCHEACHEBACE1

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 3 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 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 1/4885BCHE 959/4885

“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.