SCHEMBL2755063

SCHEMBL2755063

CC(C)(C)N1CCC2(CC1)OCc1ccncc12

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.47
OPRD1 P41143 1/20 0.38

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
SCHEMBL13168272 0.88 AVPR1A (0.45) AVPR1A
SCHEMBL14996486 0.85 AVPR1A (0.50) AVPR1AOPRD1
SCHEMBL3247835 0.81 AVPR1A (0.47) AVPR1A
SCHEMBL13664909 0.80 SIGMAR1 (0.52) AVPR1AOPRD1
SCHEMBL12219041 0.79 SIGMAR1 (0.42) AVPR1A
SCHEMBL4065831 0.78 AVPR1A (0.51) AVPR1A
SCHEMBL30447448 0.77 AVPR1A (0.42) AVPR1AOPRD1
SCHEMBL485825 0.75 AVPR1A (0.43) AVPR1AOPRD1
SCHEMBL2514268 0.74 SIGMAR1 (0.59)
SCHEMBL24204169 0.74 AVPR1A (0.45) AVPR1A

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
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (3 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN AVPR1A 22/4885OPRD1 246/4885
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 AVPR1A 4861/4885OPRD1 3988/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN AVPR1A 22/4885OPRD1 246/4885

“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.