Sugi Predict

Sugi Predict / Compounds / SCHEMBL145595

SCHEMBL145595

SCHEMBL145595

O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1CC(N2CC(N3Cc4ccccc4C3=O)C2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.55
▸ ALDH1A1 P00352 5/20 0.39
▸ LMNA P02545 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KDM5A P29375 1/20 0.38
▸ SCN1A P35498 5/20 0.38
▸ SCN5A Q14524 5/20 0.38
▸ SCN9A Q15858 5/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ F10 P00742 2/20 0.34
▸ MCHR1 Q99705 1/20 0.34

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
SCHEMBL145380 0.90 MGLL (0.47) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL144902 0.89 MGLL (0.53) MGLLALDH1A1LMNARECQLKDM5A
SCHEMBL142482 0.87 MGLL (0.45) MGLLALDH1A1LMNARECQLKDM5A
SCHEMBL147191 0.86 MGLL (0.44) MGLLALDH1A1LMNARECQLKDM5A
SCHEMBL121564 0.82 MGLL (0.51) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL867578 0.77 MGLL (0.59) MGLLALDH1A1LMNARECQLTACR1
SCHEMBL913125 0.77 MGLL (0.71) MGLLALDH1A1LMNARECQLMAPT
SCHEMBL145405 0.77 MGLL (0.45) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL14815522 0.77 MGLL (0.68) MGLLALDH1A1LMNARECQLSCN9A
SCHEMBL14815881 0.76 MGLL (0.72) MGLLALDH1A1LMNARECQLMAPT

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-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 — — US disclosed
US-8759333-B2 Di-azetidinyl diamide as monoacylglycerol 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 MGLL 1/4885ALDH1A1 636/4885LMNA 1397/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885ALDH1A1 636/4885LMNA 1397/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885ALDH1A1 554/4885LMNA 1760/4885

“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.