SCHEMBL694076

SCHEMBL694076

[c]1ccc2nc(CCc3ccccc3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.67
NPC1 O15118 4/20 0.67
MAPT P10636 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 1/20 0.61
HDAC6 Q9UBN7 1/20 0.49
GAA P10253 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
PDE10A Q9Y233 1/20 0.46
HDAC1 Q13547 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 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
SCHEMBL699318 0.88 RAB9A (0.67) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL693173 0.86 GAA (0.66) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL784574 0.80 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL30583066 0.80 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1661454 0.78 CHRM1 (0.64) MAPTALDH1A1GAAPOLBGFER
SCHEMBL15361552 0.76 TDP1 (0.51) RAB9ANPC1MAPTGAAPOLB
SCHEMBL698381 0.74 GAA (0.66) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL3764806 0.73 MAPT (0.78) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8974004 0.73 KMT2A (0.77) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL4083522 0.72 RAB9A (0.76) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US claimed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP claimed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8741887-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-06-03 US disclosed
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US disclosed
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP disclosed
US-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124102-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-20100324013-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA RAB9A 851/4885NPC1 187/4885MAPT 4519/4885
US-20130123232-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA RAB9A 851/4885NPC1 187/4885MAPT 4519/4885

“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.