SCHEMBL1017904

SCHEMBL1017904

CCN1CCN(C(=O)CN2CCc3cc(-c4cncnc4)ccc3C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.43
WDR77 Q9BQA1 3/20 0.43
ALDH1A1 P00352 3/20 0.42
PKM P14618 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CHEK1 O14757 1/20 0.39
ACHE P22303 1/20 0.39
MAPK1 P28482 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
HSD11B1 P28845 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1018011 0.90 DRD2 (0.43) PRMT5WDR77ALDH1A1PKMGAA
SCHEMBL1018808 0.89 PRMT5 (0.46) PRMT5WDR77ALDH1A1PKMGAA
SCHEMBL1018515 0.88 PRMT5 (0.45) PRMT5WDR77ALDH1A1PKMGAA
SCHEMBL1014831 0.88 PRMT5 (0.46) PRMT5WDR77ALDH1A1PKMGAA
SCHEMBL1015304 0.87 PRMT5 (0.44) PRMT5WDR77ALDH1A1PKMGAA
SCHEMBL1018811 0.86 PRMT5 (0.45) PRMT5WDR77ALDH1A1PKMGAA
SCHEMBL12953918 0.86 PRMT5 (0.41) PRMT5WDR77ALDH1A1PKMGAA
SCHEMBL1081054 0.85 PRMT5 (0.41) PRMT5WDR77ALDH1A1PKMGAA
SCHEMBL1019051 0.84 HRH3 (0.47) PRMT5WDR77ALDH1A1PKMGAA
SCHEMBL1018075 0.84 HRH3 (0.49) PRMT5WDR77ALDH1A1PKMGAA

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 11 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
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 1697/4885ALDH1A1 1229/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 PRMT5 821/4885WDR77 1697/4885ALDH1A1 1229/4885

“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.