SCHEMBL3772688

SCHEMBL3772688

CN(c1ccccc1)c1ccc(C(=O)N2CC(N3CCN(c4ccccn4)CC3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPK1 P28482 4/20 0.56
SLC6A7 Q99884 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 3/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 3/20 0.47
CYP2C9 P11712 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL3771072 0.87 KMT2A (0.56) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL3770825 0.86 ALDH1A1 (0.61) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL15703668 0.86 ALDH1A1 (0.76) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL3771373 0.85 KDM4E (0.51) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL910701 0.83 KDM4E (0.53) ALDH1A1KDM4EL3MBTL1SMN1; SMN2KMT2A
SCHEMBL15703718 0.83 KMT2A (0.64) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL15703623 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL3774353 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL15703689 0.80 KMT2A (0.56) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1
SCHEMBL3775744 0.80 SLC6A7 (0.54) ALDH1A1KDM4EMAPK1SLC6A7L3MBTL1

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 662/4885KDM4E 1129/4885MAPK1 4155/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC ALDH1A1 662/4885KDM4E 1129/4885MAPK1 4155/4885

“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.