SCHEMBL968587

SCHEMBL968587

O=C(CN1CCn2c(cc3cc(-n4ncccc4=O)cnc32)C1)N1CCN(C2CCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.38
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
DDR1 Q08345 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL968150 0.84 SIGMAR1 (0.47) SIGMAR1PARP1ALDH1A1MEN1KMT2A
SCHEMBL968613 0.82 SIGMAR1 (0.45) SIGMAR1PARP1ALDH1A1KDM4EHRH3
SCHEMBL969809 0.79 HRH3 (0.39) SIGMAR1HRH3
SCHEMBL970610 0.78 SIGMAR1 (0.40) SIGMAR1PARP1ALDH1A1MEN1KMT2A
SCHEMBL971572 0.78 HRH3 (0.41) SIGMAR1PARP1ALDH1A1HTTNPSR1
SCHEMBL1016931 0.78 PARP1 (0.41) SIGMAR1PARP1ALDH1A1MEN1KMT2A
SCHEMBL967063 0.77 SIGMAR1 (0.41) SIGMAR1PARP1ALDH1A1MEN1KMT2A
SCHEMBL970851 0.75 SIGMAR1 (0.46) SIGMAR1PARP1ALDH1A1HTTNPSR1
SCHEMBL971655 0.75 SIGMAR1 (0.47) SIGMAR1PARP1ALDH1A1MEN1KMT2A
SCHEMBL968574 0.75 SIGMAR1 (0.47) SIGMAR1PARP1ALDH1A1HTTNPSR1

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 SIGMAR1 82/4885PARP1 2898/4885ALDH1A1 812/4885

“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.