SCHEMBL697250

SCHEMBL697250

O=C(c1ccc(C(F)(F)F)cc1)N1CCCc2c[c]ccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NR3C1 P04150 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
AVPR2 P30518 4/20 0.43
AVPR1A P37288 4/20 0.43
OXTR P30559 2/20 0.43

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
SCHEMBL700427 0.86 LMNA (0.53) TSHRMEN1HPGDKMT2ARAB9A
SCHEMBL16354254 0.76 TSHR (0.47) TSHRMEN1HPGDKMT2AALDH1A1
SCHEMBL699695 0.76 SCN9A (0.45) HDAC1HDAC6MEN1KMT2ARAB9A
SCHEMBL697671 0.75 HPGD (0.68) MEN1HPGDKMT2ARAB9AALDH1A1
SCHEMBL6228834 0.74 NOTUM (0.62) TSHRMEN1KMT2AALDH1A1
SCHEMBL9369841 0.74 MITF (0.65) TSHRMEN1HPGDKMT2AALDH1A1
SCHEMBL698015 0.74 HPGD (0.51) TSHRMEN1HPGDKMT2ACA1
SCHEMBL693950 0.73 NR1H3 (0.57) MEN1KMT2A
SCHEMBL695109 0.72 NPC1 (0.47) HDAC1HDAC6RAB9AALDH1A1NPSR1
SCHEMBL23360745 0.71 ALDH1A1 (0.47) TSHRKMT2AALDH1A1NPSR1

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 HDAC1 860/4885HDAC6 1127/4885TSHR 2931/4885
US-20100324012-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HDAC1 860/4885HDAC6 1127/4885TSHR 2931/4885

“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.