SCHEMBL355103

SCHEMBL355103

Cc1noc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.54
RET P07949 5/20 0.49
TBK1 Q9UHD2 3/20 0.49
IKBKE Q14164 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
NPY2R P49146 1/20 0.44
EGLN2 Q96KS0 1/20 0.44
SMPD3 Q9NY59 1/20 0.43
PIK3CA P42336 1/20 0.43
TP53 P04637 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL354726 0.87 GPR119 (0.56) GPR119RETTBK1IKBKEJAK2
SCHEMBL354865 0.86 GPR119 (0.55) GPR119TBK1IKBKEJAK2JAK1
SCHEMBL23220924 0.79 MEN1 (0.49) GPR119RETNR1H2NR1H3EGLN2
SCHEMBL354800 0.78 TP53 (0.47) RETTBK1IKBKENPY2RTP53
SCHEMBL355300 0.78 BACE1 (0.55) GPR119RETNR1H2NR1H3EGLN2
SCHEMBL2123650 0.77 S1PR1 (0.49) GPR119HDAC4
SCHEMBL2122654 0.76 S1PR1 (0.48) GPR119HDAC4
SCHEMBL16112423 0.76 RET (0.56) RETNR1H2NR1H3
SCHEMBL652725 0.75 MEN1 (0.52) GPR119RETNR1H2NR1H3EGLN2
SCHEMBL594432 0.75 MAPT (0.54) GPR119RETNR1H2NR1H3EGLN2

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 58/4885RET 608/4885TBK1 3841/4885

“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.