SCHEMBL3777600

SCHEMBL3777600

O=C(c1ccc2c(=O)c3ccccc3oc2c1)N1CC(N2CCN(c3ccccn3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MGLL Q99685 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A7 Q99884 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TTR P02766 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL912349 0.81 MGLL (0.66) MGLLTTR
SCHEMBL3775765 0.79 ALDH1A1 (0.79) ALDH1A1HTTHSD17B10MGLLMEN1
SCHEMBL3781064 0.78 MEN1 (0.53) ALDH1A1HTTHSD17B10MEN1KMT2A
SCHEMBL3780279 0.78 MGLL (0.57) ALDH1A1MGLLMEN1KMT2APOLB
SCHEMBL3770825 0.77 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL15703668 0.77 ALDH1A1 (0.76) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL3765891 0.77 KDM4E (0.56) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL3766177 0.77 MEN1 (0.62) ALDH1A1MGLLMEN1KMT2APOLB
SCHEMBL3770240 0.76 MEN1 (0.58) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL15703728 0.76 ALDH1A1 (0.61) ALDH1A1HSD17B10MEN1KMT2APOLB

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 6 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
US-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 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 (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-20100324015-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC ALDH1A1 662/4885HTT 2718/4885HSD17B10 424/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC ALDH1A1 662/4885HTT 2718/4885HSD17B10 424/4885

“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.