SCHEMBL3149960

SCHEMBL3149960

COC(=O)CCc1cc(Cl)ccc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.62
CCR1 P32246 1/20 0.62
CCR5 P51681 4/20 0.46
MCHR1 Q99705 2/20 0.42
TEAD1 P28347 1/20 0.39
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39
MEN1 O00255 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
SLC6A12 P48065 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL3135889 0.94 ABCB11 (0.61) ABCB11CCR1CCR5MCHR1SSTR1
SCHEMBL3150098 0.92 ABCB11 (0.63) ABCB11CCR1CCR5MCHR1TEAD1
SCHEMBL3144689 0.92 ABCB11 (0.69) ABCB11CCR1CCR5MCHR1SSTR1
SCHEMBL4712843 0.92 ABCB11 (0.69) ABCB11CCR1CCR5MCHR1SSTR1
Trifluoroacetic Acid SCHEMBL3149814 0.89 ABCB11 (0.59) ABCB11CCR1CCR5MCHR1SSTR1
SCHEMBL3150012 0.89 ABCB11 (0.61) ABCB11CCR1CCR5MCHR1BCHE
SCHEMBL3140501 0.87 ABCB11 (0.65) ABCB11CCR1CCR5MCHR1MEN1
SCHEMBL3149935 0.86 ABCB11 (0.62) ABCB11CCR1CCR5MCHR1SSTR1
Trifluoroacetic Acid SCHEMBL3151035 0.84 ABCB11 (0.59) ABCB11CCR1CCR5MCHR1SSTR1
SCHEMBL3145745 0.84 ABCB11 (0.70) ABCB11CCR1CCR5MCHR1SSTR1

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 1 patent. 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

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 1/4885CCR5 10/4885

“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.