SCHEMBL356713

SCHEMBL356713

CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2Br)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.54
EGLN2 Q96KS0 1/20 0.51
KCNH2 Q12809 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.46
BACE1 P56817 3/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
RET P07949 1/20 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
SCHEMBL3486605 0.90 GPR119 (0.56) GPR119
SCHEMBL709010 0.86 GPR119 (0.55) GPR119EGLN2IRAK4BACE1LMNA
SCHEMBL532948 0.86 GPR119 (0.55) GPR119EGLN2IRAK4LMNAALDH1A1
SCHEMBL30062534 0.85 GPR119 (0.54) GPR119EGLN2IRAK4LMNAALDH1A1
SCHEMBL31153769 0.85 KCNH2 (0.48) GPR119EGLN2KCNH2BACE1LMNA
SCHEMBL13156287 0.85 GPR119 (0.54) GPR119EGLN2IRAK4LMNAALDH1A1
SCHEMBL355131 0.85 GPR119 (0.68) GPR119EGLN2KCNH2
SCHEMBL29378266 0.85 GPR119 (0.68) GPR119EGLN2KCNH2
SCHEMBL631353 0.85 GPR119 (0.54) GPR119EGLN2IRAK4LMNAALDH1A1
SCHEMBL28711602 0.85 GPR119 (0.52) GPR119EGLN2KCNH2IRAK4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-01-19 US disclosed
WO-2009079593-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R GPR119 58/4885EGLN2 144/4885KCNH2 2282/4885

“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.