SCHEMBL699517

SCHEMBL699517

CC(C)(C)NC(=O)N1CCc2c[c]ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.42
NPC1 O15118 11/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NOTUM Q6P988 1/20 0.40
MAPK1 P28482 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3194583 0.81 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TP53TAS1R3
SCHEMBL3486703 0.80 NOTUM (0.63) RAB9ANPC1SMN1; SMN2TP53TAS1R3
SCHEMBL697852 0.78 KMT2A (0.41) RAB9ANPC1SMN1; SMN2NOTUMTAAR1
SCHEMBL952312 0.78 ESR2 (0.62) SMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL2075762 0.78 NOTUM (0.44) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL25518873 0.76 NAMPT (0.56)
SCHEMBL1202085 0.74 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1NOTUMMAPK1KMT2A
SCHEMBL8013063 0.74 NOTUM (0.63) RAB9ANPC1SMN1; SMN2TP53TAS1R3
SCHEMBL23360751 0.73 NOTUM (0.43) RAB9ANPC1SMN1; SMN2TP53TAS1R3
SCHEMBL1202119 0.73 ABHD6 (0.47) NOTUM

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-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8722658-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-13 US disclosed
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (US) 2013-05-30 US disclosed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US disclosed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 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-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA RAB9A 851/4885NPC1 187/4885SMN1; SMN2 1895/4885
US-20130137674-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA RAB9A 851/4885NPC1 187/4885SMN1; SMN2 1895/4885

“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.