SCHEMBL1014842

SCHEMBL1014842

CC1CCCC2CN(C(=O)CN3CCc4cc(-n5cccn5)ccc4C3)CCN12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 3/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
HRH3 Q9Y5N1 5/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 3/20 0.36
GFER P55789 1/20 0.35
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12707078 1.00 PRMT5 (0.40) PRMT5WDR77KMT2AMEN1HRH3
SCHEMBL1020433 0.90 KMT2A (0.42) PRMT5WDR77KMT2AMEN1HRH3
SCHEMBL12707120 0.90 KMT2A (0.42) PRMT5WDR77KMT2AMEN1HRH3
SCHEMBL1019020 0.86 HRH3 (0.42) PRMT5WDR77KMT2AMEN1HRH3
SCHEMBL1014022 0.85 HRH3 (0.48) PRMT5WDR77KMT2AMEN1HRH3
SCHEMBL12707095 0.85 GAA (0.35) KMT2AMEN1HRH3ALDH1A1GAA
SCHEMBL1016803 0.85 GAA (0.35) KMT2AMEN1HRH3ALDH1A1GAA
SCHEMBL1017280 0.82 XIAP (0.41) PRMT5WDR77KMT2AMEN1ALDH1A1
SCHEMBL12707063 0.82 XIAP (0.41) PRMT5WDR77KMT2AMEN1ALDH1A1
SCHEMBL1020289 0.81 KDM2B (0.39) PRMT5WDR77KMT2AMEN1HRH3

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-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
EP-1998620-B1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2011-01-12 EP disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 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 (2 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-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 PRMT5 821/4885WDR77 1697/4885KMT2A 566/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 PRMT5 821/4885WDR77 1697/4885KMT2A 566/4885

“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.