SCHEMBL3781064

SCHEMBL3781064

O=C1c2ccccc2-c2ccc(C(=O)N3CC(N4CCN(c5ccccn5)CC4)C3)cc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
HPGD P15428 2/20 0.50
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
SLC6A7 Q99884 1/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48

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
SCHEMBL3765891 0.82 KDM4E (0.56) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL15703712 0.82 ALDH1A1 (0.55) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL3770825 0.81 ALDH1A1 (0.61) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL15703668 0.81 ALDH1A1 (0.76) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL3766177 0.80 MEN1 (0.62) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL3774353 0.80 ALDH1A1 (0.55) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL3770240 0.80 MEN1 (0.58) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL15703728 0.80 ALDH1A1 (0.61) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL911803 0.79 MGLL (0.61) ALDH1A1L3MBTL1NPC1GAARAB9A
SCHEMBL15703654 0.78 MEN1 (0.78) MEN1KMT2APOLBALDH1A1L3MBTL1

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 MEN1 4471/4885KMT2A 780/4885POLB 2499/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC MEN1 4471/4885KMT2A 780/4885POLB 2499/4885

“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.