SCHEMBL697671

SCHEMBL697671

O=C(c1ccccc1)N1CCc2c[c]ccc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
ALDH1A1 P00352 1/20 0.68
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
GAA P10253 2/20 0.50
STAT3 P40763 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
LMNA P02545 3/20 0.47
AVPR2 P30518 1/20 0.47
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47

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
SCHEMBL3453994 0.88 HPGD (0.68) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL6714690 0.81 GAA (0.53) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL5783412 0.81 HPGD (1.00) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL31556814 0.81 HPGD (1.00) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL1165734 0.78 NOTUM (0.60) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL31680509 0.76 HPGD (0.90) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL697213 0.75 HPGD (0.54) HPGDALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL697250 0.75 HDAC1 (0.50) HPGDALDH1A1RAB9AKMT2AMEN1
SCHEMBL702130 0.75 HPGD (0.69) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL16494462 0.75 HPGD (0.69) HPGDALDH1A1RAB9ASMN1; SMN2KMT2A

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
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP 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
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124086-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-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HPGD 731/4885ALDH1A1 364/4885RAB9A 851/4885
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HPGD 731/4885ALDH1A1 364/4885RAB9A 851/4885

“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.