SCHEMBL2473087

SCHEMBL2473087

Clc1ccc2c(c1)CNCc1nnc([C@H]3CC[C@H](Oc4cccnn4)CC3)n1-2

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.61
KCNH2 Q12809 10/20 0.61
AVPR2 P30518 6/20 0.60
OXTR P30559 1/20 0.56

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
SCHEMBL7907829 1.00 AVPR1A (0.61) AVPR1AKCNH2AVPR2OXTR
Hydrochloric Acid SCHEMBL2474334 0.99 AVPR1A (0.61) AVPR1AKCNH2AVPR2OXTR
Hydrochloric Acid SCHEMBL2473465 0.99 AVPR1A (0.61) AVPR1AKCNH2AVPR2OXTR
Hydrochloric Acid SCHEMBL3330144 0.99 AVPR1A (0.61) AVPR1AKCNH2AVPR2OXTR
SCHEMBL3331734 0.89 AVPR1A (0.78) AVPR1AKCNH2AVPR2OXTR
SCHEMBL11934672 0.89 AVPR1A (0.78) AVPR1AKCNH2AVPR2OXTR
SCHEMBL2473627 0.89 AVPR1A (0.78) AVPR1AKCNH2AVPR2OXTR
Hydrochloric Acid SCHEMBL3332289 0.88 AVPR1A (0.77) AVPR1AKCNH2AVPR2OXTR
SCHEMBL11934673 0.87 AVPR1A (0.59) AVPR1AKCNH2AVPR2OXTR
Hydrochloric Acid SCHEMBL2472344 0.86 AVPR1A (0.58) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370441-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-10-05 EP claimed
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-20120225865-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES SCHNIDER PATRICK (CH) 2012-09-06 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-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
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.