SCHEMBL3783393

SCHEMBL3783393

Cc1c(C(=O)N2CC(N3CCN(c4ccccn4)CC3)C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.57
CNR1 P21554 16/20 0.57
ABCC4 O15439 1/20 0.49
MLNR O43193 1/20 0.49
ABCB11 O95342 1/20 0.49
CHRM2 P08172 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
HRH2 P25021 1/20 0.49
HTR2A P28223 1/20 0.49
AGTR1 P30556 1/20 0.49
CCKAR P32238 1/20 0.49
CCKBR P32239 1/20 0.49
MC4R P32245 1/20 0.49
ABCC1 P33527 1/20 0.49

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
SCHEMBL910920 0.82 CNR2 (0.54) CNR2CNR1ABCC4MLNRABCB11
SCHEMBL911080 0.81 CNR2 (0.55) CNR2CNR1ABCC4MLNRABCB11
SCHEMBL4781711 0.76 CNR1 (0.73) CNR2CNR1ABCC4MLNRABCB11
SCHEMBL16197627 0.75 CNR2 (0.69) CNR2CNR1ABCC4MLNRABCB11
SCHEMBL14247043 0.75 CNR2 (0.68) CNR2CNR1
SCHEMBL24208719 0.75 CNR2 (0.68) CNR2CNR1ABCC4MLNRABCB11
SCHEMBL16205688 0.75 CNR2 (0.74) CNR2CNR1ABCC4MLNRABCB11
SCHEMBL24209038 0.74 CNR2 (0.60) CNR2CNR1ABCC4MLNRABCB11
SCHEMBL30513158 0.74 CNR2 (0.60) CNR2CNR1ABCC4MLNRABCB11
SCHEMBL25194613 0.74 CNR2 (0.60) CNR2CNR1ABCC4MLNRABCB11

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 CNR2 142/4885CNR1 183/4885ABCC4 713/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC CNR2 142/4885CNR1 183/4885ABCC4 713/4885

“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.