SCHEMBL968653

SCHEMBL968653

CNC(=O)c1ccc2c3c(oc2c1)CN(CC(=O)N1CCN(C2CCC2)CC1)CC3

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.48
PARP1 P09874 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL967365 0.85 HRH3 (0.40) HDAC1PARP1HRH3
SCHEMBL13985799 0.83 HDAC1 (0.42) HDAC1PARP1HRH3
SCHEMBL968514 0.82 PARP1 (0.52) HDAC1PARP1HRH3
SCHEMBL969083 0.82 MGLL (0.42) HDAC1PARP1HRH3
SCHEMBL1017100 0.82 HRH3 (0.54) HRH3L3MBTL3L3MBTL1
SCHEMBL970769 0.81 PARP1 (0.40) HDAC1PARP1HRH3
SCHEMBL967991 0.81 PARP1 (0.40) PARP1HRH3L3MBTL3L3MBTL1
SCHEMBL1016369 0.80 HRH3 (0.54) HRH3L3MBTL3L3MBTL1
SCHEMBL968741 0.79 PARP1 (0.40) PARP1HRH3L3MBTL3L3MBTL1
SCHEMBL970345 0.79 HRH3 (0.41) PARP1HRH3L3MBTL3L3MBTL1

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 HDAC1 272/4885PARP1 2898/4885HRH3 1/4885

“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.