SCHEMBL694562

SCHEMBL694562

Fc1ccc(Cn2ncc3cc[c]cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
PKM P14618 4/20 0.44
RAB9A P51151 2/20 0.44
MITF O75030 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 2/20 0.42
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
PKLR P30613 3/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MET P08581 1/20 0.36
SLC2A1 P11166 1/20 0.36
GRM2 Q14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL698497 0.88 RECQL (0.46) RECQLPKMRAB9AMITFHTT
SCHEMBL5733688 0.85 RECQL (0.66) RECQLHTTBRD4MAPTGRM2
SCHEMBL27839410 0.78 RECQL (0.75) RECQLPKMRAB9AMITFHTT
SCHEMBL3777356 0.75 CYP1A2 (0.39) RECQLPKMRAB9AMITFHTT
SCHEMBL16617171 0.74 CYP1A2 (0.39) RECQLHTR2AHTR2CTSHRCYP1A2
SCHEMBL188240 0.74 CYP1A2 (0.39) RECQLHTTHTR2AHTR2CTSHR
SCHEMBL25434947 0.74 CYP1A2 (0.36) RECQLHTR2AHTR2CCYP17A1CYP1A2
SCHEMBL15687647 0.73 BRD4 (0.50) RECQLPKMRAB9AMITFHTT
SCHEMBL697846 0.73 RECQL (0.43) RECQLPKMBRD4PKLRHTR2C
SCHEMBL17044159 0.73 GRIN1 (0.47) RECQLBRD4CYP1A2

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-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US claimed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US disclosed
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US disclosed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP disclosed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124102-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-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA RECQL 163/4885PKM 3837/4885RAB9A 851/4885
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA RECQL 163/4885PKM 3837/4885RAB9A 851/4885

“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.