SCHEMBL969746

SCHEMBL969746

CN(C)C(=O)c1ccc2sc3c(c2c1)CCN(CC(=O)N1CCN(C2CCC2)CC1)C3

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.41
PARP1 P09874 4/20 0.40
KDM2B Q8NHM5 2/20 0.39
CYP17A1 P05093 2/20 0.36
CYP3A4 P08684 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
SCHEMBL967970 0.93 PARP1 (0.40) HRH3PARP1KDM2B
SCHEMBL970345 0.88 HRH3 (0.41) HRH3PARP1CYP17A1CYP3A4
SCHEMBL971121 0.86 PARP1 (0.40) HRH3PARP1CYP17A1CYP3A4
SCHEMBL970977 0.85 PARP1 (0.38) HRH3PARP1KDM2B
SCHEMBL967713 0.85 HRH3 (0.48) HRH3PARP1
SCHEMBL967364 0.82 PARP1 (0.52) HRH3PARP1
SCHEMBL967991 0.81 PARP1 (0.40) HRH3PARP1
SCHEMBL970769 0.81 PARP1 (0.40) HRH3PARP1KDM2B
SCHEMBL968741 0.79 PARP1 (0.40) HRH3PARP1
SCHEMBL970248 0.78 HRH3 (0.36) HRH3

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 4 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
WO-2009003003-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-12-31 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-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 HRH3 1/4885PARP1 2898/4885KDM2B 1771/4885

“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.