SCHEMBL3401918

SCHEMBL3401918

NNC(=O)C1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.43
OPRL1 P41146 3/20 0.42
NPY5R Q15761 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
HCRTR2 O43614 1/20 0.41

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
SCHEMBL3401920 1.00 AVPR1A (0.43) AVPR1AOPRL1NPY5ROPRM1OPRK1
SCHEMBL13337849 1.00 AVPR1A (0.43) AVPR1AOPRL1NPY5ROPRM1OPRK1
SCHEMBL3179143 0.85 AVPR1A (0.46) AVPR1ANPY5R
SCHEMBL3404371 0.83 AVPR1A (0.46) AVPR1A
SCHEMBL13337847 0.83 AVPR1A (0.46) AVPR1A
SCHEMBL3404373 0.83 AVPR1A (0.46) AVPR1A
SCHEMBL13337853 0.76 SIGMAR1 (0.46) AVPR1A
SCHEMBL3400210 0.76 SIGMAR1 (0.46) AVPR1A
SCHEMBL3400212 0.76 SIGMAR1 (0.46) AVPR1A
SCHEMBL13337848 0.75 AVPR1A (0.46) AVPR1AOPRL1HCRTR2

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 1/4885OPRL1 10/4885NPY5R 14/4885

“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.