SCHEMBL12410068

SCHEMBL12410068

CCCN1CCC2(CCNCC2)Oc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL12410067 0.81
SCHEMBL12491541 0.76 GPR119 (0.49)
SCHEMBL2452352 0.73 OPRD1 (0.44)
SCHEMBL12017861 0.73
Butane SCHEMBL8576950 0.72 SIGMAR1 (0.50) NISCH
SCHEMBL13824494 0.68 NISCH (0.35) NISCH
SCHEMBL29644468 0.67 NOTUM (0.43)
SCHEMBL4268737 0.67 NOTUM (0.43)
SCHEMBL471621 0.66 SIGMAR1 (0.53)
SCHEMBL169809 0.66 OPRD1 (0.49) MEN1KMT2A

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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 US disclosed
US-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 US disclosed
WO-2010027567-A2 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-03-11 WO 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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE GPR119, TRPV1, NR3C2 NISCH 866/4885MEN1 4306/4885ALDH1A1 994/4885

“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.