SCHEMBL3320113

SCHEMBL3320113

CC(C)O[C@H]1CC[C@H](c2nnc3n2-c2ccc(Cl)cc2CN(S(=O)(=O)N(C)C)C3)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 19/20 0.64
KCNH2 Q12809 11/20 0.53
AVPR2 P30518 7/20 0.53
OXTR P30559 1/20 0.42

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
SCHEMBL3318839 0.91 AVPR1A (0.63) AVPR1AKCNH2AVPR2OXTR
SCHEMBL11889973 0.91 AVPR1A (0.63) AVPR1AKCNH2AVPR2OXTR
SCHEMBL11961837 0.87 AVPR1A (0.72) AVPR1AKCNH2AVPR2OXTR
SCHEMBL3330464 0.86 AVPR1A (0.67) AVPR1AKCNH2AVPR2
SCHEMBL2341255 0.83 AVPR1A (0.68) AVPR1AKCNH2AVPR2OXTR
SCHEMBL3319638 0.83 AVPR1A (0.68) AVPR1AKCNH2AVPR2OXTR
SCHEMBL2339927 0.83 AVPR1A (0.68) AVPR1AKCNH2AVPR2OXTR
SCHEMBL3320093 0.83 AVPR1A (0.61) AVPR1AKCNH2AVPR2OXTR
SCHEMBL11890033 0.82 AVPR1A (0.57) AVPR1AKCNH2AVPR2
SCHEMBL3320151 0.82 AVPR1A (0.57) AVPR1AKCNH2AVPR2

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 9 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 claimed
EP-2358714-B1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN LA ROCHE (CH) 2012-08-01 EP claimed
US-20100125066-A1 ALKYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 US claimed
US-8642590-B2 Alkylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
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
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
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 AVPR1A 1/4885KCNH2 360/4885AVPR2 4/4885

“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.