SCHEMBL3337024

SCHEMBL3337024

CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCC(Oc3cccc(C(C)(C)C)c3)CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.66
KCNH2 Q12809 6/20 0.66
AVPR2 P30518 3/20 0.66
OXTR P30559 1/20 0.51

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
SCHEMBL2474738 1.00 AVPR1A (0.66) AVPR1AKCNH2AVPR2OXTR
SCHEMBL3330790 0.91 AVPR1A (0.73) AVPR1AKCNH2AVPR2
SCHEMBL2472303 0.89 AVPR1A (0.69) AVPR1AKCNH2AVPR2
SCHEMBL3331754 0.89 AVPR1A (0.69) AVPR1AKCNH2AVPR2OXTR
SCHEMBL3329565 0.89 AVPR1A (0.69) AVPR1AKCNH2AVPR2
SCHEMBL3332451 0.88 AVPR1A (0.77) AVPR1AKCNH2AVPR2
SCHEMBL13300141 0.88 AVPR1A (0.77) AVPR1AKCNH2AVPR2
SCHEMBL3336066 0.88 AVPR1A (0.77) AVPR1AKCNH2AVPR2
SCHEMBL2474997 0.88 AVPR1A (0.77) AVPR1AKCNH2AVPR2
SCHEMBL3350825 0.88 AVPR1A (0.53) AVPR1AKCNH2AVPR2OXTR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES SCHNIDER PATRICK (CH) 2012-09-06 US disclosed
US-8227458-B2 Arylcyclohexylethers of dihydrotetraazabenzoazulenes HOFFMANN-LA ROCHE INC. (US) 2012-07-24 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 (2 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-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885KCNH2 490/4885AVPR2 3/4885
US-20100137286-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885KCNH2 490/4885AVPR2 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.