SCHEMBL3765832

SCHEMBL3765832

O=C(c1ccc(C2CCCCC2)cc1)N1CC(N2CCN(c3ncccn3)CC2)C1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 9/20 0.79
MGLL Q99685 4/20 0.66
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
FAAH O00519 1/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL3777040 0.90 SLC6A7 (0.64) SLC6A7MGLLTSHRMEN1KMT2A
SCHEMBL3765848 0.86 SLC6A7 (0.58) SLC6A7MGLLMEN1KMT2AUSP2
SCHEMBL3779599 0.86 SLC6A7 (0.58) SLC6A7MGLLUSP2ALOX15SMN1; SMN2
SCHEMBL911737 0.84 SLC6A7 (0.61) SLC6A7MGLLMEN1KMT2AL3MBTL1
SCHEMBL3766228 0.83 HSD11B1 (0.58) SLC6A7MGLLNPSR1ALDH1A1
SCHEMBL3772486 0.83 SLC6A7 (0.55) SLC6A7MGLLL3MBTL1ALDH1A1L3MBTL3
SCHEMBL3772865 0.83 SLC6A7 (0.54) SLC6A7MGLLL3MBTL1L3MBTL3FAAH
SCHEMBL3782128 0.83 MGLL (0.59) SLC6A7MGLLTSHRL3MBTL1ALDH1A1
SCHEMBL3778380 0.82 MGLL (0.56) SLC6A7MGLLTSHRMEN1KMT2A
SCHEMBL693092 0.82 KDM4E (0.66) SLC6A7MGLLMEN1KMT2AL3MBTL1

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 SLC6A7 3678/4885MGLL 1/4885TSHR 1108/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC SLC6A7 3678/4885MGLL 1/4885TSHR 1108/4885

“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.