SCHEMBL3776876

SCHEMBL3776876

N#Cc1ccc(N2CCN(C3CN(C(=O)c4ccc(C5CCCCC5)cc4)C3)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.56
FASN P49327 12/20 0.51
SLC6A7 Q99884 1/20 0.48
EGLN1 Q9GZT9 2/20 0.47
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
PARP1 P09874 1/20 0.45
TNK1 Q13470 1/20 0.45
MGLL Q99685 1/20 0.43
PDE2A O00408 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL3771121 0.85 SLC6A7 (0.51) SLC6A7DPP4MGLL
SCHEMBL3773546 0.85 SLC6A7 (0.51) FASNSLC6A7MGLL
SCHEMBL3777040 0.79 SLC6A7 (0.64) SLC6A7MGLL
SCHEMBL3772486 0.79 SLC6A7 (0.55) PANK3SLC6A7DPP4DPP8PARP1
SCHEMBL19748857 0.78 HRH3 (0.54) PANK3DPP4DPP8DPP9PARP1
SCHEMBL3765832 0.78 SLC6A7 (0.79) SLC6A7MGLL
SCHEMBL3783323 0.77 PROKR1 (0.58) SLC6A7MGLL
SCHEMBL2825721 0.77 HRH3 (0.55) PANK3DPP4DPP8DPP9PARP1
SCHEMBL3779599 0.75 SLC6A7 (0.58) SLC6A7MGLL
SCHEMBL693101 0.75 L3MBTL3 (0.56) SLC6A7

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 PANK3 4256/4885FASN 66/4885SLC6A7 3678/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC PANK3 4256/4885FASN 66/4885SLC6A7 3678/4885

“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.