SCHEMBL2507597

SCHEMBL2507597

CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCC(c3ccccc3)CC2)C1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.68
AVPR2 P30518 4/20 0.68
KCNH2 Q12809 4/20 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
SCHEMBL2507599 1.00 AVPR1A (0.68) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2510557 0.89 AVPR1A (0.61) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2508859 0.89 AVPR1A (0.61) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2508860 0.89 AVPR1A (0.61) AVPR1AAVPR2KCNH2OXTR
SCHEMBL2545376 0.89 AVPR1A (0.67) AVPR1AAVPR2KCNH2
SCHEMBL2545378 0.89 AVPR1A (0.67) AVPR1AAVPR2KCNH2
SCHEMBL13300141 0.87 AVPR1A (0.77) AVPR1AAVPR2KCNH2
SCHEMBL2474997 0.87 AVPR1A (0.77) AVPR1AAVPR2KCNH2
SCHEMBL3332451 0.87 AVPR1A (0.77) AVPR1AAVPR2KCNH2
SCHEMBL3336066 0.87 AVPR1A (0.77) AVPR1AAVPR2KCNH2

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-2552919-B1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP claimed
US-8420633-B2 Aryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US claimed
US-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-06 US claimed
EP-2552919-B1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8722318-B2 Methods of photochemical hydrolysis-polycondensation of cross-linkable chromophores with steric hindrance, catalysed by a photogenerated acid, and the applications thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2014-05-13 US disclosed
US-8420633-B2 Aryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2552919-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. Hoffmann-La Roche AG (CH) 2013-02-06 EP disclosed
WO-2011120877-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-06 WO disclosed
US-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-06 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-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR AVPR1A 1/4885AVPR2 4/4885KCNH2 551/4885

“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.