SCHEMBL698548

SCHEMBL698548

O=C(c1sc2cc(Br)ccc2c1Cl)N1CC(N2CCNCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
ALDH1A1 P00352 7/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.37
BCKDK O14874 2/20 0.36
MCL1 Q07820 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
RPA1 P27694 1/20 0.36

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
SCHEMBL14815522 0.85 MGLL (0.68) MGLLALDH1A1HPGDMAPTCYP1A2
SCHEMBL912400 0.84 MGLL (0.53) MGLLALDH1A1HPGDMAPTCYP1A2
SCHEMBL693854 0.84 MGLL (0.57) MGLLALDH1A1HPGDMAPTCYP1A2
SCHEMBL6843164 0.83 ALDH1A1 (0.41) MGLLALDH1A1HPGDMAPTCYP1A2
SCHEMBL8363162 0.81 MGLL (0.52) MGLLALDH1A1HPGDMAPTCYP1A2
SCHEMBL912087 0.80 MGLL (0.77) MGLLALDH1A1HPGDMAPTCYP1A2
SCHEMBL697705 0.80 MGLL (0.53) MGLLALDH1A1HPGDMAPTKMT2A
SCHEMBL142482 0.75 MGLL (0.45) MGLLALDH1A1HPGDMAPTCYP1A2
SCHEMBL693926 0.72 L3MBTL3 (0.57) MGLLHPGD
SCHEMBL14846416 0.71 MGLL (0.57) MGLLALDH1A1HPGDMAPTCYP1A2

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 109 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US disclosed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US disclosed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124082-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124112-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124112-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
WO-2010124119-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 (1 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-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 5/4885ALDH1A1 364/4885HPGD 731/4885

“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.