SCHEMBL3778432

SCHEMBL3778432

CSc1ccccc1N1CCN(C2CN(C(=O)c3ccc(-c4ccccc4)cc3)C2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SLC6A7 Q99884 5/20 0.47
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.45
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
FASN P49327 1/20 0.42
RBP4 P02753 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3781244 0.82 POLB (0.77) POLBMEN1KMT2AHTR1AALDH1A1
SCHEMBL15949476 0.79 HPGD (0.62) POLBMEN1KMT2ASLC6A7MAPK1
SCHEMBL3766882 0.79 GRM5 (0.48) POLBMEN1KMT2ASLC6A7MAPK1
SCHEMBL694421 0.77 SLC6A7 (0.74) SLC6A7MAPK1ALDH1A1TSHRL3MBTL1
SCHEMBL15703668 0.75 ALDH1A1 (0.76) POLBMEN1KMT2ASLC6A7MAPK1
SCHEMBL15949416 0.75 KDM4E (0.54) POLBKMT2AALDH1A1L3MBTL1L3MBTL3
SCHEMBL911620 0.75 MEN1 (0.66) POLBMEN1KMT2ASLC6A7MAPK1
SCHEMBL15949266 0.75 POLB (0.56) POLBMEN1KMT2ASLC6A7MAPK1
SCHEMBL694477 0.74 SIGMAR1 (0.56) POLBMEN1KMT2ASLC6A7MAPK1
SCHEMBL15949335 0.74 FASN (0.70) POLBMEN1KMT2ASLC6A7MAPK1

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

“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.