SCHEMBL3320103

SCHEMBL3320103

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.34
MTNR1A P48039 3/20 0.30
MTNR1B P49286 3/20 0.30
ACACB O00763 2/20 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
SCHEMBL2342388 1.00 DEGS1 (0.34) DEGS1MTNR1AMTNR1BACACB
SCHEMBL2343120 0.82 DEGS1 (0.37) DEGS1MTNR1AMTNR1BACACB
SCHEMBL3321139 0.82 DEGS1 (0.37) DEGS1MTNR1AMTNR1BACACB
SCHEMBL2343085 0.82 DEGS1 (0.37) DEGS1MTNR1AMTNR1BACACB
SCHEMBL3320370 0.79 ABL1 (0.39) DEGS1MTNR1AMTNR1BACACB
SCHEMBL2337580 0.79 ABL1 (0.39) DEGS1MTNR1AMTNR1BACACB
SCHEMBL3319979 0.78 MAPT (0.42)
SCHEMBL2341731 0.78 MAPT (0.42)
SCHEMBL2338908 0.78 MAPT (0.42)
SCHEMBL2336745 0.78 DEGS1 (0.50) DEGS1ACACB

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 DEGS1 784/4885MTNR1A 421/4885MTNR1B 522/4885

“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.