SCHEMBL10175833

SCHEMBL10175833

Cc1c(C(=O)N2CC(C3CCN(C(=O)c4nccs4)CC3)C2)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.45
MGLL Q99685 7/20 0.44
CES2 O00748 1/20 0.40
CYP3A4 P08684 2/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
MAPT P10636 1/20 0.36
SPR P35270 1/20 0.36
FAAH O00519 1/20 0.36
SMO Q99835 1/20 0.35
CHRNA7 P36544 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SYK P43405 1/20 0.34
TYRO3 Q06418 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
SCHEMBL10175834 0.90 MGLL (0.55) RBP4MGLLCYP3A4ACACBACACA
SCHEMBL14877190 0.90 MGLL (0.55) RBP4MGLLCYP3A4ACACBACACA
SCHEMBL912867 0.88 MGLL (0.57) RBP4MGLLCES2FAAH
SCHEMBL698623 0.88 MGLL (0.57) RBP4MGLLCES2FAAH
SCHEMBL14877121 0.83 MGLL (0.64) MGLLCES2CYP3A4ACACBACACA
SCHEMBL2721078 0.82 MGLL (0.37) RBP4MGLLCES2CYP3A4
SCHEMBL912734 0.81 MGLL (0.51) RBP4MGLLFAAHSYK
SCHEMBL14877195 0.81 MGLL (0.41) MGLLCES2CYP3A4ACACBACACA
SCHEMBL16564472 0.79 MGLL (0.49) MGLLCES2
SCHEMBL699382 0.79 MGLL (0.58) RBP4MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 US disclosed
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 US disclosed
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 US disclosed
US-8513423-B2 Piperidin-4-yl-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-8513423-B2 Piperidin-4-yl-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-8513423-B2 Piperidin-4-yl-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-04-25 US disclosed
US-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-04-25 US disclosed
US-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-04-25 US disclosed
WO-2012054716-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV. (BE) 2012-04-26 WO 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 (2 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-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL RBP4 3666/4885MGLL 3/4885CES2 44/4885
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL RBP4 3301/4885MGLL 1/4885CES2 46/4885

“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.