SCHEMBL3400246

SCHEMBL3400246

Fc1ccc2c(c1)COC21CC[N]CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.42
OXTR P30559 1/20 0.36
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 3/20 0.33
MCHR1 Q99705 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PDE3A Q14432 1/20 0.33
OPRL1 P41146 1/20 0.32

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
SCHEMBL3403047 0.89 AVPR1A (0.40) AVPR1AOPRD1OPRL1
SCHEMBL30574141 0.83 AVPR1A (0.41) AVPR1AOXTRCA1CA2PDE3A
SCHEMBL737193 0.81 DPP4 (0.42) AVPR1AOXTR
SCHEMBL24204166 0.79 AVPR1A (0.44) AVPR1AOXTR
SCHEMBL30574142 0.79 AVPR1A (0.39) AVPR1AOXTRCA1CA2PDE3A
SCHEMBL11827622 0.79 AVPR1A (0.46) AVPR1A
SCHEMBL238660 0.76 OPRD1 (0.48) AVPR1AOPRD1
SCHEMBL12964403 0.75 AVPR1A (0.43) AVPR1AOXTROPRL1
SCHEMBL29079064 0.75 AVPR1A (0.39) AVPR1AOXTROPRL1
SCHEMBL4216905 0.71 SIGMAR1 (0.59)

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 3 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
EP-2356123-B1 SPIRO-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2012-10-03 EP 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 AVPR1A 1/4885OXTR 2/4885OPRD1 13/4885

“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.