SCHEMBL3776394

SCHEMBL3776394

Cc1ccnc(N2CCN(C3CN(C(=O)c4ccc(-c5ccccc5)cc4)C3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 9/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.49
GBA1 P04062 1/20 0.48
HPGD P15428 1/20 0.47
ABL1 P00519 3/20 0.45
BCR P11274 3/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
MGLL Q99685 1/20 0.44
DPP4 P27487 1/20 0.44
PROKR1 Q8TCW9 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL15703668 0.86 ALDH1A1 (0.76) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3783323 0.83 PROKR1 (0.58) SLC6A7L3MBTL1KDM4EMGLLPROKR1
SCHEMBL694421 0.81 SLC6A7 (0.74) SLC6A7ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL15949266 0.80 POLB (0.56) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL15703728 0.79 ALDH1A1 (0.61) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL3778283 0.78 SLC6A7 (0.54) SLC6A7ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL3770825 0.77 ALDH1A1 (0.61) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL15949476 0.77 HPGD (0.62) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL912559 0.77 SLC6A7 (0.60) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL911909 0.77 SLC6A7 (0.60) SLC6A7ALDH1A1MAPK1L3MBTL1KDM4E

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 3678/4885ALDH1A1 662/4885MAPK1 4155/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC SLC6A7 3678/4885ALDH1A1 662/4885MAPK1 4155/4885

“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.