SCHEMBL727118

SCHEMBL727118

O=[N+]([O-])c1ccccc1-c1[c]nccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAOB P27338 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.41
S100A4 P26447 2/20 0.40
PDE10A Q9Y233 1/20 0.40
PTPRC P08575 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.39
GUSB P08236 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL4375599 0.74 ALDH1A1 (0.53) ALDH1A1TDP1MAOBMGAMGAA
SCHEMBL30535903 0.73 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI
SCHEMBL1287837 0.73 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI
SCHEMBL8371301 0.72 ALDH1A1 (0.47) ALDH1A1TDP1MAOBMGAMGAA
SCHEMBL29337140 0.71 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
SCHEMBL30987815 0.71 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
Ammonia Solution, Strong SCHEMBL9060371 0.71 ALDH1A1 (0.71) ALDH1A1TDP1MAOBMGAMGAA
SCHEMBL3759979 0.69 NPC1 (0.39) ALDH1A1GAAL3MBTL1HSD17B10ACHE
SCHEMBL3758938 0.69 ALDH1A1 (0.46) ALDH1A1TDP1GAAL3MBTL1HSD17B10
SCHEMBL1965907 0.69 CYP2A6 (0.40) ALDH1A1TDP1POLBHSD17B10KMT2A

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
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP disclosed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US disclosed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US disclosed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US disclosed
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
US-7456286-B2 Bicyclic heteroaromatic compounds as kinase inhibitors UCB PHARMA, S.A. (BE) 2008-11-25 US disclosed
US-20060122212-A1 Bicyclic heteroaromatic compounds as kinase inhibitors CELLTECH R&D LIMITED (GB) 2006-06-08 US 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 (3 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-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC ALDH1A1 662/4885TDP1 2080/4885MAOB 177/4885
US-20060122212-A1 Bicyclic heteroaromatic compounds as kinase inhibitors MAP2K2, MAP2K7, MAP2K3 ALDH1A1 3407/4885TDP1 983/4885MAOB 1905/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC ALDH1A1 662/4885TDP1 2080/4885MAOB 177/4885

“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.