SCHEMBL911066

SCHEMBL911066

O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc(CSc4cccc(Cl)c4)cc3)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.55
LMNA P02545 6/20 0.55
ALDH1A1 P00352 6/20 0.55
HPGD P15428 3/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD11B1 P28845 1/20 0.49
HTT P42858 3/20 0.48
PKM P14618 1/20 0.48
MCL1 Q07820 1/20 0.48
MAPK1 P28482 2/20 0.48
STAT3 P40763 1/20 0.48
MGLL Q99685 2/20 0.46
ADRB2 P07550 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
SCHEMBL701276 0.90 LMNA (0.51) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL911056 0.89 ALDH1A1 (0.66) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL15949410 0.89 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL912537 0.86 MGLL (0.54) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL15240097 0.86 MGLL (0.51) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL912557 0.85 MGLL (0.57) ALDH1A1L3MBTL1KDM4EMGLL
SCHEMBL15949311 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL912455 0.80 KDM4E (0.50) ALDH1A1RAB9ANPC1L3MBTL1KDM4E
SCHEMBL15240797 0.80 RXRA (0.57) ALDH1A1HPGDRAB9ANPC1MEN1
SCHEMBL15949457 0.80 SLC6A7 (0.60) ALDH1A1HPGDMEN1KMT2AL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
US-8697684-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-04-15 US disclosed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed
US-20130237517-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-12 US disclosed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA SMN1; SMN2 1895/4885LMNA 2009/4885ALDH1A1 364/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA SMN1; SMN2 1895/4885LMNA 2009/4885ALDH1A1 364/4885
US-20130237517-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA SMN1; SMN2 1895/4885LMNA 2009/4885ALDH1A1 364/4885

“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.