SCHEMBL1015304

SCHEMBL1015304

CCC(C)N1CCN(C(=O)CN2CCc3cc(-c4cncnc4)ccc3C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.44
WDR77 Q9BQA1 5/20 0.44
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 4/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 1/20 0.36
MAPK1 P28482 1/20 0.36
HSP90AA1 P07900 2/20 0.35

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
SCHEMBL1018515 0.91 PRMT5 (0.45) PRMT5WDR77KDM4EALDH1A1PKM
SCHEMBL1014831 0.91 PRMT5 (0.46) PRMT5WDR77KDM4EALDH1A1PKM
SCHEMBL1018811 0.89 PRMT5 (0.45) PRMT5WDR77KDM4EALDH1A1PKM
SCHEMBL14420761 0.87 PRMT5 (0.41) PRMT5WDR77KDM4EALDH1A1PKM
SCHEMBL1017904 0.87 PRMT5 (0.43) PRMT5WDR77KDM4EALDH1A1PKM
SCHEMBL1082029 0.87 PRMT5 (0.43) PRMT5WDR77KDM4EALDH1A1PKM
SCHEMBL1018808 0.86 PRMT5 (0.46) PRMT5WDR77KDM4EALDH1A1PKM
SCHEMBL1018496 0.86 PRMT5 (0.39) PRMT5WDR77KDM4EALDH1A1PKM
SCHEMBL1016859 0.84 PRMT5 (0.44) PRMT5WDR77KDM4E
SCHEMBL1017574 0.84 PRMT5 (0.45) PRMT5WDR77KDM4EALDH1A1PKM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US claimed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
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-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US 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
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 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 1697/4885KDM4E 2634/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 PRMT5 821/4885WDR77 1697/4885KDM4E 2634/4885

“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.