SCHEMBL913340

SCHEMBL913340

O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc(S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.56
SFRP1 Q8N474 3/20 0.52
HPGD P15428 3/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
CHRM2 P08172 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
CACNA1B Q00975 1/20 0.48
ALDH1A1 P00352 3/20 0.48
PKLR P30613 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD11B1 P28845 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL15949455 0.91 CACNA1B (0.47) MGLLSFRP1HPGDLMNAPOLB
SCHEMBL693935 0.87 CYP3A4 (0.53) MGLLHPGDLMNAPOLBCACNA1B
SCHEMBL912479 0.86 MGLL (0.57) MGLLSFRP1HPGDLMNAPOLB
SCHEMBL913511 0.86 MGLL (0.53) MGLLCHRM2RXFP1
SCHEMBL693649 0.85 CA12 (0.56) MGLLSFRP1HPGDLMNACHRM2
SCHEMBL911271 0.83 SLC6A7 (0.61) MGLLHPGDLMNAPOLB
SCHEMBL14647944 0.81 MGLL (0.59) MGLLHPGDLMNAPOLBALDH1A1
SCHEMBL15196702 0.81 MGLL (0.57) MGLLHPGDLMNAPOLBCYP3A4
SCHEMBL693170 0.81 MGLL (0.57) MGLLHPGDLMNAPOLBALDH1A1
SCHEMBL911586 0.80 MGLL (0.68) MGLLHPGDPOLBALDH1A1GAA

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-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 MGLL 5/4885SFRP1 4460/4885HPGD 731/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 5/4885SFRP1 4460/4885HPGD 731/4885
US-20130237517-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 5/4885SFRP1 4460/4885HPGD 731/4885

“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.