SCHEMBL2336745

SCHEMBL2336745

CC(C)OC1CCC(C(=O)NN)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.50
ROCK2 O75116 4/20 0.35
ROCK1 Q13464 4/20 0.35
PKN2 Q16513 3/20 0.35
RPS6KA5 O75582 2/20 0.35
LRRK2 Q5S007 2/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
CHUK O15111 1/20 0.35
PRKD3 O94806 1/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
LTK P29376 1/20 0.35
CDK8 P49336 1/20 0.35
PRKX P51817 1/20 0.35
CDK5 Q00535 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
STK3 Q13188 1/20 0.35
PRKG2 Q13237 1/20 0.35

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
SCHEMBL2336740 1.00 DEGS1 (0.50) DEGS1ROCK2ROCK1PKN2RPS6KA5
SCHEMBL2347988 1.00 DEGS1 (0.50) DEGS1ROCK2ROCK1PKN2RPS6KA5
SCHEMBL3321139 0.83 DEGS1 (0.37) DEGS1LMNAACACBABL1NPSR1
SCHEMBL2343085 0.83 DEGS1 (0.37) DEGS1LMNAACACBNPSR1
SCHEMBL2343120 0.83 DEGS1 (0.37) DEGS1LMNAACACBABL1NPSR1
SCHEMBL21380386 0.81 DEGS1 (0.35) DEGS1ABL1
SCHEMBL2337580 0.80 ABL1 (0.39) DEGS1CYP3A4ACACBABL1
SCHEMBL3320370 0.80 ABL1 (0.39) DEGS1CYP3A4ACACBABL1
SCHEMBL5011488 0.79 DEGS1 (0.43) DEGS1CYP2D6TSHRIDH1
SCHEMBL30622698 0.79 ADORA3 (0.40) CDK2TSHR

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
EP-2760871-B1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
US-8828989-B2 Oxy-cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[E]azulenes as V1A antagonists HOFFMANN-LA ROCHE INC. (US) 2014-09-09 US disclosed
EP-2760871-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 EP disclosed
US-8642590-B2 Alkylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
WO-2013045373-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed
US-20130079333-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 US disclosed
EP-2358714-B1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN LA ROCHE (CH) 2012-08-01 EP disclosed
EP-2358714-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. Hoffmann-La Roche AG (CH) 2011-08-24 EP disclosed
WO-2010057795-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 WO disclosed
US-20100125066-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 US 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-20100125066-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, OXTR DEGS1 784/4885ROCK2 3148/4885ROCK1 2190/4885
US-20130079333-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS AVPR1A, AVPR1B, ADRA2A DEGS1 2013/4885ROCK2 1310/4885ROCK1 1471/4885

“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.