Sugi Predict

Sugi Predict / Compounds / SCHEMBL146463

SCHEMBL146463

SCHEMBL146463

Cc1cc(-c2cccc(C(F)(F)F)c2)ccc1C(=O)N1CC(N2CC(N3Cc4scnc4C3=O)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORB Q92753 2/20 0.38
▸ RORC P51449 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.36
▸ GRIN2B Q13224 4/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33

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
SCHEMBL146398 0.93 KDM4E (0.36) SLC6A7RXRARXRBLMNAHTT
SCHEMBL143988 0.77 MGLL (0.48) MGLL
SCHEMBL912403 0.75 MGLL (0.51) SLC6A7ABL1BCRMGLL
SCHEMBL912740 0.75 MGLL (0.51) SLC6A7ABL1BCRMGLL
SCHEMBL912061 0.75 MGLL (0.57) SLC6A7DGAT2ABL1BCRLMNA
SCHEMBL912189 0.75 MGLL (0.57) SLC6A7DGAT2ABL1BCRLMNA
SCHEMBL16564445 0.75 MGLL (0.51) SLC6A7GRIN2BABL1BCRGRIN1
SCHEMBL912035 0.73 MGLL (0.54) SLC6A7ABL1BCRLMNAMGLL
SCHEMBL145116 0.72 MGLL (0.58) MGLL
SCHEMBL1083716 0.69 L3MBTL3 (0.58) KMT2A

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 RORB 3742/4885RORC 3214/4885SLC6A7 3894/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL RORB 3742/4885RORC 3214/4885SLC6A7 3894/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA RORB 3687/4885RORC 3569/4885SLC6A7 3446/4885

“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.