SCHEMBL952020

SCHEMBL952020

CC(C)(C)OC(=O)N1CCC(Oc2cc[c]cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.60
USP30 Q70CQ3 1/20 0.56
PIK3CD O00329 2/20 0.50
ALDH1A1 P00352 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46

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
SCHEMBL953923 1.00 GPR119 (0.60) GPR119USP30PIK3CDALDH1A1PTPN2
SCHEMBL952021 1.00 GPR119 (0.60) GPR119USP30PIK3CDALDH1A1PTPN2
SCHEMBL951540 0.93 GPR119 (0.67) GPR119USP30ALDH1A1
SCHEMBL1769219 0.87 USP30 (0.71) GPR119USP30PIK3CD
SCHEMBL5153452 0.87 USP30 (0.71) GPR119USP30PIK3CD
SCHEMBL21409063 0.87 USP30 (0.71) GPR119USP30PIK3CD
SCHEMBL6189661 0.86 GPR119 (0.58) GPR119USP30PIK3CDALDH1A1
SCHEMBL15376614 0.86 GPR119 (0.58) GPR119USP30PIK3CDALDH1A1
SCHEMBL699609 0.86 GPR119 (0.58) GPR119USP30PIK3CDALDH1A1
SCHEMBL20179924 0.86 GPR119 (0.58) GPR119USP30PIK3CDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US disclosed
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (US) 2013-05-30 US disclosed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US disclosed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 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 (2 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-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA GPR119 103/4885USP30 411/4885PIK3CD 2646/4885
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA GPR119 103/4885USP30 411/4885PIK3CD 2646/4885

“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.