SCHEMBL970419

SCHEMBL970419

CN(C)c1ncc2oc3c(c2n1)CCN(CC(=O)N1CCN(C2CCC2)CC1)C3

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 4/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CBX7 O95931 3/20 0.33
CDYL2 Q8N8U2 3/20 0.33
CDYL Q9Y232 3/20 0.33
CDY1; CDY1B Q9Y6F8 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALOX15 P16050 1/20 0.32
HRH3 Q9Y5N1 5/20 0.32
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL967205 0.86 PARP1 (0.39) PARP1ALDH1A1POLBMAPTKMT2A
SCHEMBL968421 0.81 PARP1 (0.39) PARP1ALDH1A1POLBMAPTKMT2A
SCHEMBL13985821 0.79 PARP1 (0.37) PARP1ALDH1A1POLBMAPTKMT2A
SCHEMBL972542 0.79 PARP1 (0.41) PARP1ALDH1A1POLBMAPTKMT2A
SCHEMBL1017882 0.79 HSP90AA1 (0.45) PARP1ALDH1A1KDM4EHRH3NPSR1
SCHEMBL970424 0.78 HRH3 (0.38) PARP1ALDH1A1KDM4EHRH3
SCHEMBL969791 0.78 PARP1 (0.43) PARP1ALDH1A1POLBMAPTKMT2A
SCHEMBL968565 0.77 PARP1 (0.39) PARP1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL969376 0.77 PARP1 (0.40) PARP1ALDH1A1POLBMAPTKMT2A
SCHEMBL967576 0.76 PARP1 (0.42) PARP1ALDH1A1POLBMAPTKMT2A

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 PARP1 2898/4885ALDH1A1 812/4885POLB 2282/4885

“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.