SCHEMBL3317349

SCHEMBL3317349

CC(C)OC1CCC(c2nnc3n2-c2ccc(Cl)cc2CN(C(=O)OC(C)(C)C)C3)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OXTR P30559 10/20 0.60
AVPR1A P37288 10/20 0.60
AVPR2 P30518 10/20 0.54
KCNH2 Q12809 5/20 0.54

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
SCHEMBL2337011 1.00 OXTR (0.60) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2342096 1.00 OXTR (0.60) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2339947 0.92 OXTR (0.57) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2339951 0.92 OXTR (0.57) OXTRAVPR1AAVPR2KCNH2
SCHEMBL3317302 0.92 OXTR (0.57) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2342534 0.92 OXTR (0.57) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2337046 0.91 AVPR1A (0.63) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2336753 0.91 AVPR1A (0.63) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2336755 0.91 AVPR1A (0.63) OXTRAVPR1AAVPR2KCNH2
SCHEMBL3314706 0.90 OXTR (0.56) OXTRAVPR1AAVPR2KCNH2

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 6 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
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 OXTR 3/4885AVPR1A 1/4885AVPR2 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.