SCHEMBL3774353

SCHEMBL3774353

O=C(c1ccc(N2CCCCCC2)cc1)N1CC(N2CCN(c3ccccn3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MAPT P10636 3/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 4/20 0.55
KDM4E B2RXH2 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
SLC6A7 Q99884 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL3 Q96JM7 2/20 0.49
MBTD1 Q05BQ5 1/20 0.49
TP53BP1 Q12888 1/20 0.49
L3MBTL4 Q8NA19 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CYP1A2 P05177 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
SCHEMBL3782128 0.86 MGLL (0.59) ALDH1A1KDM4EL3MBTL1SLC6A7L3MBTL3
SCHEMBL15703668 0.85 ALDH1A1 (0.76) ALDH1A1MAPTGAAMAPK1KDM4E
SCHEMBL3770825 0.85 ALDH1A1 (0.61) ALDH1A1MAPTGAAMAPK1KDM4E
SCHEMBL3765891 0.85 KDM4E (0.56) ALDH1A1MAPTGAAMAPK1KDM4E
SCHEMBL911595 0.83 L3MBTL1 (0.60) ALDH1A1MAPTKDM4EL3MBTL1SLC6A7
SCHEMBL911653 0.83 L3MBTL1 (0.60) ALDH1A1MAPTKDM4EL3MBTL1SLC6A7
SCHEMBL15703623 0.83 ALDH1A1 (0.58) ALDH1A1MAPTGAAMAPK1KDM4E
SCHEMBL15703718 0.83 KMT2A (0.64) ALDH1A1MAPTGAAMAPK1KDM4E
SCHEMBL911217 0.81 L3MBTL1 (0.61) ALDH1A1MAPTKDM4EL3MBTL1SLC6A7
SCHEMBL3779578 0.81 KCNH2 (0.47) ALDH1A1POLB

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 662/4885MAPT 4742/4885GAA 14/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC ALDH1A1 662/4885MAPT 4742/4885GAA 14/4885

“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.