SCHEMBL17155200

SCHEMBL17155200

CC(C)(C)OC(=O)NCCC1CCN1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPFFR1 Q9GZQ6 1/20 0.48
NPFFR2 Q9Y5X5 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
IDO1 P14902 1/20 0.46
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.44
DRD2 P14416 1/20 0.43
GPR119 Q8TDV5 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
SCHEMBL10682348 0.88 KMT2A (0.51) KMT2AL3MBTL1NPFFR1NPFFR2SIGMAR1
SCHEMBL803459 0.82 ACHE (0.67) ACHE
SCHEMBL9091685 0.81 OPRM1 (0.55) KMT2AL3MBTL1SIGMAR1DRD2
SCHEMBL14290582 0.81 OPRM1 (0.55) KMT2AL3MBTL1SIGMAR1DRD2
SCHEMBL30500906 0.81 NPFFR1 (0.50) KMT2AL3MBTL1NPFFR1NPFFR2SIGMAR1
SCHEMBL6535932 0.81 KMT2A (0.49) KMT2AL3MBTL1NPFFR1NPFFR2SIGMAR1
SCHEMBL29604592 0.81 SIGMAR1 (0.48) KMT2AL3MBTL1NPFFR1NPFFR2SIGMAR1
SCHEMBL29604392 0.81 SIGMAR1 (0.48) KMT2AL3MBTL1NPFFR1NPFFR2SIGMAR1
SCHEMBL5969188 0.80 ACHE (0.60) ACHEBCHEDRD2
SCHEMBL30049396 0.78 ACHE (0.58) NPFFR1NPFFR2ACHEBCHE

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-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
WO-2015150557-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 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-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES VPS26B, VPS4B, VPS28 KMT2A 3748/4885L3MBTL1 4493/4885NPFFR1 2838/4885

“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.