SCHEMBL3328604

SCHEMBL3328604

CC(C)(C)OC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3cccnc3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 16/20 0.55
OXTR P30559 5/20 0.55
AVPR2 P30518 7/20 0.53
KCNH2 Q12809 5/20 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
SCHEMBL3333488 0.92 AVPR1A (0.57) AVPR1AOXTRAVPR2KCNH2
SCHEMBL3328372 0.91 AVPR1A (0.59) AVPR1AOXTRAVPR2KCNH2
SCHEMBL3331607 0.91 AVPR1A (0.59) AVPR1AOXTRAVPR2KCNH2
SCHEMBL3328583 0.91 AVPR1A (0.58) AVPR1AOXTRAVPR2KCNH2
SCHEMBL2543036 0.89 OXTR (0.58) AVPR1AOXTRAVPR2KCNH2
SCHEMBL2543037 0.89 OXTR (0.58) AVPR1AOXTRAVPR2KCNH2
SCHEMBL3378819 0.89 AVPR1A (0.55) AVPR1AOXTRAVPR2KCNH2
SCHEMBL2475379 0.89 AVPR1A (0.56) AVPR1AOXTRAVPR2KCNH2
SCHEMBL3332724 0.89 AVPR1A (0.56) AVPR1AOXTRAVPR2KCNH2
SCHEMBL3330111 0.89 AVPR1A (0.56) AVPR1AOXTRAVPR2KCNH2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3035939-B1 V1A ANTAGONISTS TO TREAT PHASE SHIFT SLEEP DISORDERS HOFFMANN LA ROCHE (CH) 2020-03-25 EP claimed
US-10265327-B2 V1A antagonists to treat phase shift sleep disorders HOFFMANN-LA ROCHE INC. (US) 2019-04-23 US claimed
US-20180064727-A1 V1A ANTAGONISTS TO TREAT PHASE SHIFT SLEEP DISORDERS HOFFMANN-LA ROCHE INC. (US) 2018-03-08 US claimed
EP-2370441-B1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-09-11 EP claimed
US-8461152-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US claimed
US-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES SCHNIDER PATRICK (CH) 2012-09-06 US claimed
US-8227458-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US claimed
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN-LA ROCHE, INC. 2010-06-03 US claimed
EP-3035939-B1 V1A ANTAGONISTS TO TREAT PHASE SHIFT SLEEP DISORDERS HOFFMANN LA ROCHE (CH) 2020-03-25 EP disclosed
US-10265327-B2 V1A antagonists to treat phase shift sleep disorders HOFFMANN-LA ROCHE INC. (US) 2019-04-23 US disclosed
US-20180064727-A1 V1A ANTAGONISTS TO TREAT PHASE SHIFT SLEEP DISORDERS HOFFMANN-LA ROCHE INC. (US) 2018-03-08 US disclosed
EP-2370441-B1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-09-11 EP disclosed
US-8461152-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
US-8461152-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
US-8227458-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
US-8227458-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
WO-2010060836-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-03 WO disclosed
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN-LA ROCHE, INC. 2010-06-03 US disclosed
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN-LA ROCHE, INC. 2010-06-03 US disclosed
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES HOFFMANN-LA ROCHE, INC. 2010-06-03 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 (4 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-10265327-B2 V1A antagonists to treat phase shift sleep disorders AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885OXTR 104/4885AVPR2 3/4885
US-20180064727-A1 V1A ANTAGONISTS TO TREAT PHASE SHIFT SLEEP DISORDERS AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885OXTR 104/4885AVPR2 3/4885
US-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885OXTR 4/4885AVPR2 3/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885OXTR 4/4885AVPR2 3/4885

“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.