SCHEMBL3247835

SCHEMBL3247835

CCN1CCC2(CC1)OCc1ccncc12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.47
SIGMAR1 Q99720 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
HASPIN Q8TF76 1/20 0.42

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
SCHEMBL14996486 0.85 AVPR1A (0.50) AVPR1A
SCHEMBL13168272 0.83 AVPR1A (0.45) AVPR1A
SCHEMBL2514268 0.82 SIGMAR1 (0.59) SIGMAR1
SCHEMBL2755063 0.81 AVPR1A (0.47) AVPR1A
SCHEMBL8014953 0.80 SIGMAR1 (0.63) SIGMAR1
SCHEMBL13519263 0.78 AVPR1A (0.41) AVPR1ASIGMAR1
SCHEMBL30447448 0.77 AVPR1A (0.42) AVPR1ASIGMAR1CCNCCDK8HASPIN
SCHEMBL13366438 0.75 SIGMAR1 (0.57) SIGMAR1
SCHEMBL13366939 0.75 SIGMAR1 (0.57) SIGMAR1
SCHEMBL485825 0.75 AVPR1A (0.43) AVPR1ACCNCCDK8HASPIN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 AVPR1A 4861/4885SIGMAR1 4422/4885CCNC 285/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN AVPR1A 22/4885SIGMAR1 572/4885CCNC 2602/4885

“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.