SCHEMBL3320370

SCHEMBL3320370

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.39
POLB P06746 1/20 0.36
DEGS1 O15121 1/20 0.36
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
ACACB O00763 5/20 0.32
TLR2 O60603 2/20 0.32
KDM5A P29375 1/20 0.31
CYP3A4 P08684 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
SCHEMBL2337580 1.00 ABL1 (0.39) ABL1POLBDEGS1MTNR1AMTNR1B
SCHEMBL2343120 0.84 DEGS1 (0.37) ABL1DEGS1MTNR1AMTNR1BACACB
SCHEMBL3321139 0.84 DEGS1 (0.37) ABL1DEGS1MTNR1AMTNR1BACACB
SCHEMBL2343085 0.84 DEGS1 (0.37) DEGS1MTNR1AMTNR1BACACB
SCHEMBL2336745 0.80 DEGS1 (0.50) ABL1DEGS1ACACBCYP3A4
SCHEMBL2347988 0.80 DEGS1 (0.50) ABL1DEGS1ACACBCYP3A4
SCHEMBL2336740 0.80 DEGS1 (0.50) ABL1DEGS1ACACBCYP3A4
SCHEMBL2342388 0.79 DEGS1 (0.34) DEGS1MTNR1AMTNR1BACACB
SCHEMBL3320103 0.79 DEGS1 (0.34) DEGS1MTNR1AMTNR1BACACB
SCHEMBL2339441 0.77 MAPT (0.44) CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642590-B2 Alkylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2358714-B1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN LA ROCHE (CH) 2012-08-01 EP 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 (1 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 ABL1 1999/4885POLB 3231/4885DEGS1 784/4885

“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.