SCHEMBL145557

SCHEMBL145557

O=C(NC1CN(C2CN(C(=O)c3ccc4c(Br)cccc4c3)C2)C1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CHRM1 P11229 1/20 0.41
MGLL Q99685 5/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 2/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
SLC9A1 P19634 1/20 0.39
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL141583 0.87 HDAC8 (0.40) CHRM1MGLLMEN1KMT2ADRD4
SCHEMBL145779 0.84 DRD4 (0.44) POLBCHRM1MGLLMEN1KMT2A
SCHEMBL147100 0.83 MGLL (0.61) MGLLMEN1KMT2ASLC9A1HDAC3
SCHEMBL147768 0.80 MEN1 (0.49) CHRM1MGLLMEN1KMT2ADRD4
SCHEMBL121355 0.78 SMN1; SMN2 (0.57) POLBCHRM1MEN1KMT2ADRD4
SCHEMBL2131638 0.76 DRD4 (0.46) POLBMGLLMEN1KMT2ADRD4
SCHEMBL16564487 0.75 CHRM1 (0.48) POLBCHRM1MGLLMEN1KMT2A
SCHEMBL16564154 0.75 MEN1 (0.54) CHRM1MGLLMEN1KMT2A
SCHEMBL144616 0.75 CHRM1 (0.54) POLBCHRM1MEN1KMT2A
SCHEMBL148601 0.75 MGLL (0.60) MGLLMEN1KMT2ASLC9A1

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-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
US-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 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 (3 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-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL POLB 3251/4885CHRM1 4675/4885MGLL 1/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL POLB 3251/4885CHRM1 4675/4885MGLL 1/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA POLB 2546/4885CHRM1 4248/4885MGLL 4/4885

“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.