SCHEMBL969809

SCHEMBL969809

N#Cc1cnc2c(c1)cc1n2CCN(CC(=O)N2CCN(C3CCC3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
IRAK4 Q9NWZ3 13/20 0.38
KCNH2 Q12809 1/20 0.37
MGLL Q99685 2/20 0.37
SIGMAR1 Q99720 2/20 0.36

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
SCHEMBL968613 0.87 SIGMAR1 (0.45) HRH3IRAK4KCNH2SIGMAR1
SCHEMBL970610 0.85 SIGMAR1 (0.40) HRH3SIGMAR1
SCHEMBL971572 0.85 HRH3 (0.41) HRH3KCNH2SIGMAR1
SCHEMBL968150 0.81 SIGMAR1 (0.47) HRH3SIGMAR1
SCHEMBL970851 0.80 SIGMAR1 (0.46) HRH3SIGMAR1
SCHEMBL968587 0.79 SIGMAR1 (0.38) HRH3SIGMAR1
SCHEMBL967063 0.78 SIGMAR1 (0.41) HRH3SIGMAR1
SCHEMBL1017081 0.76 HRH3 (0.41) HRH3IRAK4KCNH2
SCHEMBL971655 0.76 SIGMAR1 (0.47) HRH3SIGMAR1
SCHEMBL967219 0.76 SIGMAR1 (0.47) HRH3SIGMAR1

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-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 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-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 HRH3 1/4885IRAK4 2428/4885KCNH2 295/4885

“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.