SCHEMBL698519

SCHEMBL698519

[c]1cccc2[nH]c(Cc3ccccc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
PKM P14618 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
HTR6 P50406 2/20 0.43
KMT2A Q03164 1/20 0.43
RIPK1 Q13546 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRNP P04156 1/20 0.41
RNASEH1 O60930 1/20 0.39

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
SCHEMBL7017120 0.78 CACNA1H (0.36) GAAPKMNPC1RAB9A
SCHEMBL908058 0.78 DDAH1 (0.33) GAAPKMKDM4ENPC1RAB9A
SCHEMBL7021216 0.78 DDAH1 (0.53) GAAPKMTSHRMAPTKDM4E
SCHEMBL7019566 0.78 TDP1 (0.40) GAAPKMKDM4ETDP1KMT2A
SCHEMBL7024978 0.75 DDAH1 (0.39) MAPTKDM4EKMT2ANPC1RAB9A
SCHEMBL9598374 0.74 MEN1 (0.33) MAPTKDM4EKMT2A
SCHEMBL7019229 0.74 BCHE (0.38) PKMTSHRMAPTKDM4ETDP1
SCHEMBL7017479 0.74 NPC1 (0.39) GAATSHRMAPTKDM4EKMT2A
SCHEMBL10923286 0.74 GAA (0.58) GAAPKMTSHRMAPTGRIN1
Bendazol SCHEMBL29539948 0.74 GAA (1.00) GAAPKMTSHRMAPTGRIN1

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 GAA 22/4885PKM 3837/4885TSHR 2931/4885
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA GAA 22/4885PKM 3837/4885TSHR 2931/4885

“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.