SCHEMBL3777239

SCHEMBL3777239

O=C(c1ccc(-n2cccc2)cc1)N1CC(N2CCN(c3ncccn3)CC2)C1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 11/20 0.76
MGLL Q99685 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
FAAH O00519 1/20 0.49
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 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
SCHEMBL3781181 0.89 SLC6A7 (0.60) SLC6A7MGLLL3MBTL1ALDH1A1TSHR
SCHEMBL3782128 0.87 MGLL (0.59) SLC6A7MGLLL3MBTL1ALDH1A1TSHR
SCHEMBL3770988 0.85 MGLL (0.60) SLC6A7MGLLL3MBTL1ALDH1A1TSHR
SCHEMBL3778380 0.84 MGLL (0.56) SLC6A7MGLLL3MBTL1ALDH1A1TSHR
SCHEMBL694421 0.83 SLC6A7 (0.74) SLC6A7MGLLL3MBTL1ALDH1A1TSHR
SCHEMBL910755 0.82 MEN1 (0.60) SLC6A7MGLLL3MBTL1ALDH1A1HPGD
SCHEMBL3777778 0.81 SLC6A7 (0.76) SLC6A7MGLLL3MBTL1ALDH1A1TSHR
SCHEMBL3766192 0.81 MGLL (0.53) SLC6A7MGLLL3MBTL1ALDH1A1TSHR
SCHEMBL3779563 0.81 SLC6A7 (0.60) SLC6A7MGLLL3MBTL1ALDH1A1TSHR
SCHEMBL3766199 0.81 MGLL (0.52) SLC6A7MGLLL3MBTL1ALDH1A1TSHR

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 1/4885L3MBTL1 988/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC SLC6A7 3678/4885MGLL 1/4885L3MBTL1 988/4885

“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.