SCHEMBL698439

SCHEMBL698439

O=C(C1CCCCC1)N1CCc2c[c]ccc2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.68
HDAC6 Q9UBN7 6/20 0.57
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 2/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGDR2 Q9Y5Y4 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
SCHEMBL697303 0.85 KEAP1 (0.49) KEAP1HDAC6ALDH1A1MAPTPOLB
SCHEMBL698467 0.84 KEAP1 (0.48) KEAP1HDAC6ALDH1A1CYP1A2CYP3A4
SCHEMBL4525094 0.84 KEAP1 (0.48) KEAP1HDAC6ALDH1A1CYP1A2CYP3A4
SCHEMBL2075762 0.78 NOTUM (0.44) KEAP1ALDH1A1CYP3A4CYP2C19MAPT
SCHEMBL3486703 0.77 NOTUM (0.63) ALDH1A1CYP3A4CYP2C19MAPTHTT
SCHEMBL13085444 0.77 KEAP1 (0.91) KEAP1HDAC6ALDH1A1CYP1A2CYP3A4
SCHEMBL28715772 0.77 POLB (0.57) KEAP1ALDH1A1MAPTPOLBHTT
SCHEMBL6969813 0.76 KEAP1 (0.68) KEAP1HDAC6ALDH1A1CYP1A2CYP3A4
SCHEMBL4431726 0.75 HDAC6 (0.77) KEAP1HDAC6ALDH1A1CYP1A2CYP3A4
SCHEMBL4437339 0.74 KEAP1 (0.65) KEAP1HDAC6ALDH1A1CYP1A2CYP3A4

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 10 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
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO 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
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 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 (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 KEAP1 709/4885HDAC6 1127/4885ALDH1A1 364/4885
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KEAP1 709/4885HDAC6 1127/4885ALDH1A1 364/4885

“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.