SCHEMBL2519124

SCHEMBL2519124

CC(C)(C)OC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCC(O)(c3ccccc3)CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OXTR P30559 11/20 0.60
AVPR1A P37288 8/20 0.60
AVPR2 P30518 9/20 0.56
KCNH2 Q12809 3/20 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
SCHEMBL2510756 0.90 OXTR (0.58) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2506793 0.88 AVPR1A (0.62) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2506795 0.88 AVPR1A (0.62) OXTRAVPR1AAVPR2KCNH2
SCHEMBL11962540 0.85 OXTR (0.66) OXTRAVPR1AAVPR2KCNH2
SCHEMBL12200491 0.85 AVPR1A (0.65) OXTRAVPR1AAVPR2KCNH2
SCHEMBL3331607 0.85 AVPR1A (0.59) OXTRAVPR1AAVPR2KCNH2
SCHEMBL3328372 0.85 AVPR1A (0.59) OXTRAVPR1AAVPR2KCNH2
SCHEMBL3403069 0.84 OXTR (0.57) OXTRAVPR1AAVPR2KCNH2
SCHEMBL13337802 0.84 OXTR (0.57) OXTRAVPR1AAVPR2KCNH2
SCHEMBL3405187 0.84 OXTR (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558467-B1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
EP-2558467-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E]AZULENES AS VASOPRESSIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
WO-2011128265-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E] AZULENES AS VASOPRESSIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 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-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES OXTR, AVPR1B, AVPR1A OXTR 1/4885AVPR1A 3/4885AVPR2 5/4885

“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.