SCHEMBL3319638

SCHEMBL3319638

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

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.68
AVPR2 P30518 2/20 0.68
KCNH2 Q12809 2/20 0.68
OXTR P30559 1/20 0.53

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
SCHEMBL2341255 1.00 AVPR1A (0.68) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2339927 1.00 AVPR1A (0.68) AVPR1AAVPR2KCNH2OXTR
SCHEMBL13331009 0.90 AVPR1A (0.64) AVPR1AAVPR2KCNH2OXTR
SCHEMBL13331007 0.90 AVPR1A (0.64) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2337799 0.90 AVPR1A (0.64) AVPR1AAVPR2KCNH2OXTR
SCHEMBL13331016 0.90 AVPR1A (0.64) AVPR1AAVPR2KCNH2OXTR
SCHEMBL3319269 0.90 AVPR1A (0.64) AVPR1AAVPR2KCNH2OXTR
SCHEMBL3318530 0.89 AVPR1A (0.63) AVPR1AAVPR2KCNH2OXTR
SCHEMBL3320068 0.89 AVPR1A (0.65) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2340308 0.89 AVPR1A (0.63) AVPR1AAVPR2KCNH2OXTR

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 AVPR1A 1/4885AVPR2 4/4885KCNH2 360/4885

“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.