SCHEMBL694100

SCHEMBL694100

[c]1ccc2c(c1)ccn2Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
SRC P12931 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN2B Q13224 1/20 0.41
HTR6 P50406 1/20 0.39
GUSB P08236 1/20 0.39
PTK2 Q05397 1/20 0.39
APP P05067 2/20 0.39
SNCA P37840 2/20 0.39
TLR7 Q9NYK1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
KDM4E B2RXH2 1/20 0.37
UBE2N P61088 1/20 0.37

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
SCHEMBL693231 0.82 HTR6 (0.46) CYP11B1KMT2AGRIN2BHTR6APP
SCHEMBL4028017 0.82 HTR6 (0.49) KMT2AHTR6APPSNCA
SCHEMBL7809472 0.81 KMT2A (0.60) CYP11B1CHRNB2CHRNA4KMT2AGRIN2B
SCHEMBL7084091 0.75 PLAU (0.50) CYP11B1SRCGRIN2BHTR6TLR7
SCHEMBL31661458 0.75 PLAU (0.50) CYP11B1SRCGRIN2BHTR6TLR7
SCHEMBL4035905 0.75 SLC2A1 (0.46) CYP11B1HTR6ALDH1A1PKMKDM4E
SCHEMBL17044139 0.74 CYP19A1 (0.46) CYP11B1APPSNCAALDH1A1KDM4E
SCHEMBL694355 0.74 CYP2A6 (0.41) CHRNB2CHRNA4PTK2
SCHEMBL4035941 0.73 SLC2A1 (0.45) KMT2AGRIN2BTLR7ALDH1A1PKM
SCHEMBL916458 0.72 HTR6 (0.51) CYP11B1SRCCHRNB2CHRNA4KMT2A

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-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US claimed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP claimed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO 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 CYP11B1 2616/4885SRC 3520/4885CHRNB2 3880/4885
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CYP11B1 2616/4885SRC 3520/4885CHRNB2 3880/4885

“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.