SCHEMBL969047

SCHEMBL969047

CC(C)n1c2c(c3ccccc31)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.52
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 4/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 3/20 0.41
USP2 O75604 1/20 0.41
UBE2N P61088 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL967951 0.87 PARP1 (0.52) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL967543 0.86 TSHR (0.52) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL967196 0.85 PARP1 (0.51) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL967730 0.84 PARP1 (0.49) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL968315 0.82 PARP1 (0.49) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL968695 0.79 PARP1 (0.47) PARP1ALDH1A1KDM4ESMN1; SMN2PRMT5
SCHEMBL970324 0.77 ALDH1A1 (0.64) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL969089 0.77 PARP1 (0.65) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL968434 0.76 ALDH1A1 (0.64) PARP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL967118 0.75 ALDH1A1 (0.63) PARP1ALDH1A1MEN1KMT2AMAPT

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 claimed
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 PARP1 2898/4885ALDH1A1 812/4885MEN1 3755/4885

“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.