SCHEMBL3770988

SCHEMBL3770988

O=C(c1ccc(-n2cccn2)cc1)N1CC(N2CCN(c3ncccn3)CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.60
SLC6A7 Q99884 10/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
FAAH O00519 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3777239 0.85 SLC6A7 (0.76) MGLLSLC6A7L3MBTL1ALDH1A1TSHR
SCHEMBL3782128 0.84 MGLL (0.59) MGLLSLC6A7L3MBTL1ALDH1A1TSHR
SCHEMBL3781181 0.82 SLC6A7 (0.60) MGLLSLC6A7L3MBTL1ALDH1A1TSHR
SCHEMBL3778380 0.82 MGLL (0.56) MGLLSLC6A7L3MBTL1ALDH1A1TSHR
SCHEMBL3777778 0.81 SLC6A7 (0.76) MGLLSLC6A7L3MBTL1ALDH1A1TSHR
SCHEMBL694421 0.81 SLC6A7 (0.74) MGLLSLC6A7L3MBTL1ALDH1A1TSHR
SCHEMBL3779563 0.79 SLC6A7 (0.60) MGLLSLC6A7L3MBTL1ALDH1A1TSHR
SCHEMBL3766192 0.79 MGLL (0.53) MGLLSLC6A7L3MBTL1ALDH1A1TSHR
SCHEMBL3766199 0.78 MGLL (0.52) MGLLSLC6A7L3MBTL1ALDH1A1TSHR
SCHEMBL3771956 0.78 SLC6A7 (0.57) MGLLSLC6A7L3MBTL1ALDH1A1TSHR

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