SCHEMBL3765976

SCHEMBL3765976

O=C(c1ccc(Oc2ccccc2)cc1)N1CC(N2CCN(c3ncccn3)CC2)C1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 7/20 0.76
MGLL Q99685 5/20 0.59
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
FAAH O00519 1/20 0.51
HTT P42858 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
USP2 O75604 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL15703718 0.89 KMT2A (0.64) SLC6A7MGLLALDH1A1TSHRMEN1
SCHEMBL694421 0.87 SLC6A7 (0.74) SLC6A7MGLLALDH1A1TSHRL3MBTL1
SCHEMBL3775039 0.87 SLC6A7 (0.78) SLC6A7MGLLALDH1A1TSHRMEN1
SCHEMBL3772921 0.84 SLC6A7 (0.77) SLC6A7ALDH1A1TSHRMEN1KMT2A
SCHEMBL15949260 0.84 MGLL (0.67) SLC6A7MGLLALDH1A1MEN1KMT2A
SCHEMBL3771956 0.84 SLC6A7 (0.57) SLC6A7MGLLALDH1A1TSHRMEN1
SCHEMBL3778380 0.83 MGLL (0.56) SLC6A7MGLLALDH1A1TSHRMEN1
SCHEMBL3782128 0.81 MGLL (0.59) SLC6A7MGLLALDH1A1TSHRL3MBTL1
SCHEMBL912159 0.81 HRH3 (0.57) SLC6A7MGLLALDH1A1MEN1KMT2A
SCHEMBL15703654 0.81 MEN1 (0.78) SLC6A7MGLLALDH1A1MEN1KMT2A

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 1/4885ALDH1A1 662/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC SLC6A7 3678/4885MGLL 1/4885ALDH1A1 662/4885

“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.