SCHEMBL697657

SCHEMBL697657

Fc1cc(COc2[c]cccc2)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
KIF11 P52732 3/20 0.39
DRD4 P21917 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
DAO P14920 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
MAOB P27338 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SLC7A5 Q01650 2/20 0.33
IDO1 P14902 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL3321623 0.77 IDO1 (0.54) FFAR1MRGPRX4MAOBFFAR4IDO1
SCHEMBL4427337 0.77 IDO1 (0.46) MAOBIDO1SLC6A4
SCHEMBL2451731 0.76 MAOB (0.43) MAOBIDO1SLC6A4
SCHEMBL697659 0.75 FFAR1 (0.50) FFAR1KIF11DRD4HDAC1HDAC6
SCHEMBL7024874 0.75 IDO1 (0.53) FFAR1MAOBFFAR4IDO1SLC6A4
SCHEMBL1291660 0.75 MAOB (0.50) MAOBIDO1
SCHEMBL5672700 0.74 IDO1 (0.41) MAOBIDO1
SCHEMBL2452025 0.72 MRGPRX4 (0.41) FFAR1MRGPRX4RXRARXRBRXRG
SCHEMBL28555601 0.72 MAOB (0.45) DAOMRGPRX4MAOBSLC6A4
SCHEMBL25738425 0.72 KIF11 (0.50) FFAR1KIF11DRD4DAOIDO1

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-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
US-8623858-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-07 US disclosed
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
EP-2421847-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
WO-2010124116-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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA FFAR1 267/4885KIF11 4060/4885DRD4 1937/4885
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA FFAR1 267/4885KIF11 4060/4885DRD4 1937/4885

“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.