SCHEMBL940070

SCHEMBL940070

CC1CCC(NC[C]=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
ADRA2A P08913 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
VEGFA P15692 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL940071 1.00 EPHX1 (0.38) EPHX1ALDH1A1RAB9ANPC1ADRA2A
SCHEMBL2881872 0.90
SCHEMBL7747239 0.80
SCHEMBL1051109 0.80
SCHEMBL939875 0.78 KDM4E (0.48) EPHX1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7748472 0.78 KDM4E (0.48) EPHX1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7747093 0.78 KDM4E (0.48) EPHX1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8491948 0.76
SCHEMBL4813112 0.75 EPHX1 (0.40) EPHX1ALDH1A1RAB9ANPC1ADRA2A
SCHEMBL4817401 0.75 EPHX1 (0.40) EPHX1ALDH1A1RAB9ANPC1ADRA2A

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-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-12-15 US disclosed
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-01-21 US disclosed
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2015-06-18 US disclosed
US-8933109-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA LIMITED (GB) 2015-01-13 US disclosed
US-20140038944-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2014-02-06 US disclosed
US-8552202-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA THERAPEUTICS LIMITED (GB) 2013-10-08 US disclosed
US-20130150345-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2013-06-13 US disclosed
US-8389737-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA THERAPEUTICS LIMITED (GB) 2013-03-05 US disclosed
EP-2283022-B1 FURO [3, 2-B]PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-07-18 EP disclosed
EP-2283022-A1 FURO Ý3, 2-B¨PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS Amura Therapeutics Limited (GB) 2011-02-16 EP disclosed
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US disclosed
WO-2009112826-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 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 (6 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-20130150345-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK EPHX1 2914/4885ALDH1A1 4265/4885RAB9A 333/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK EPHX1 2315/4885ALDH1A1 3819/4885RAB9A 249/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK EPHX1 2914/4885ALDH1A1 4265/4885RAB9A 333/4885
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK EPHX1 2914/4885ALDH1A1 4265/4885RAB9A 333/4885
US-20140038944-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK EPHX1 2914/4885ALDH1A1 4265/4885RAB9A 333/4885
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK EPHX1 2315/4885ALDH1A1 3819/4885RAB9A 249/4885

“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.