SCHEMBL698681

SCHEMBL698681

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCc2c[c]ccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.59
CYP11B2 P19099 1/20 0.59
NR1H3 Q13133 4/20 0.54
CPT2 P23786 2/20 0.51
CPT1A P50416 2/20 0.51
CPT1B Q92523 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.49
RORC P51449 3/20 0.48
NR1I2 O75469 1/20 0.48
NR1H2 P55055 1/20 0.48
AKR1C3 P42330 1/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM2B Q8NHM5 1/20 0.45
HTT P42858 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
SCHEMBL693950 0.86 NR1H3 (0.57) CYP11B1CYP11B2NR1H3KMT2AMEN1
SCHEMBL699288 0.85 CYP11B1 (0.57) CYP11B1CYP11B2NR1H3KMT2AMEN1
SCHEMBL24286525 0.85 KMT2A (0.67) CYP11B1CYP11B2NR1H3CPT2CPT1A
SCHEMBL695513 0.82 NR1H3 (0.58) CYP11B1CYP11B2NR1H3KMT2AMEN1
SCHEMBL16354340 0.79 CYP11B1 (0.52) CYP11B1CYP11B2NR1H3CPT2CPT1A
SCHEMBL24286414 0.76 RORC (0.58) CYP11B1CYP11B2CPT2CPT1ACPT1B
SCHEMBL700427 0.76 LMNA (0.53) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL699190 0.75 ALDH1A1 (0.44) MAPT
SCHEMBL24287196 0.75 RORC (0.57) CYP11B1CYP11B2NR1H3CPT2CPT1A
SCHEMBL19023863 0.75 CYP11B1 (0.58) CYP11B1CYP11B2NR1H3CPT2CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US claimed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP claimed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US claimed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 US claimed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124086-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US disclosed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 US disclosed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 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 (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-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CYP11B1 2616/4885CYP11B2 2915/4885NR1H3 425/4885
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CYP11B1 2616/4885CYP11B2 2915/4885NR1H3 425/4885

“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.