SCHEMBL698467

SCHEMBL698467

O=C(C1CCC(C(F)(F)F)CC1)N1CCc2c[c]ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL27896752 0.84 KEAP1 (0.68) KEAP1MAPTPOLBHTTALDH1A1
SCHEMBL698439 0.84 KEAP1 (0.68) KEAP1MAPTPOLBHTTHDAC6
SCHEMBL697303 0.82 KEAP1 (0.49) KEAP1MAPTPOLBHTTHDAC6
SCHEMBL4525094 0.79 KEAP1 (0.48) KEAP1MAPTPOLBHTTHDAC6
SCHEMBL2075762 0.73 NOTUM (0.44) KEAP1MAPTHTTALDH1A1HPGD
SCHEMBL3486703 0.72 NOTUM (0.63) MAPTHTTALDH1A1HPGDKDM4E
SCHEMBL952264 0.71 ESR1 (0.59) MAPTHDAC6KMT2ARIPK1TDP1
SCHEMBL7469070 0.71 ESR1 (0.51) MAPTHDAC6KMT2A
SCHEMBL698015 0.71 HPGD (0.51) HPGDGAALMNATSHRKMT2A
SCHEMBL952312 0.69 ESR2 (0.62) MAPTALDH1A1LMNAMAPK1SMN1; SMN2

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 8 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
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 709/4885MAPT 4519/4885POLB 3399/4885
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA KEAP1 709/4885MAPT 4519/4885POLB 3399/4885

“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.