SCHEMBL13337802

SCHEMBL13337802

CC(C)(C)OC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@]3(CC2)OCc2ccccc23)C1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OXTR P30559 11/20 0.57
AVPR1A P37288 8/20 0.57
AVPR2 P30518 9/20 0.53
KCNH2 Q12809 3/20 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
SCHEMBL3403069 1.00 OXTR (0.57) OXTRAVPR1AAVPR2KCNH2
SCHEMBL3405187 1.00 OXTR (0.57) OXTRAVPR1AAVPR2KCNH2
SCHEMBL3404819 0.88 AVPR1A (0.55) OXTRAVPR1AAVPR2KCNH2
SCHEMBL3404823 0.88 AVPR1A (0.55) OXTRAVPR1AAVPR2KCNH2
SCHEMBL3402944 0.86 AVPR1A (0.48) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2510756 0.85 OXTR (0.58) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2519124 0.84 OXTR (0.60) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2506793 0.83 AVPR1A (0.62) OXTRAVPR1AAVPR2KCNH2
SCHEMBL2506795 0.83 AVPR1A (0.62) OXTRAVPR1AAVPR2KCNH2
SCHEMBL15493994 0.83 AVPR1A (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664216-B2 Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2014-03-04 US disclosed
US-8664216-B2 Spiro-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2014-03-04 US disclosed
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2010-05-13 US disclosed
US-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2010-05-13 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-20100120751-A1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES AVPR1A, OXTR, AVPR1B OXTR 2/4885AVPR1A 1/4885AVPR2 4/4885

“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.