SCHEMBL1017995

SCHEMBL1017995

O=C(CN1CCc2cc(-c3cccc(F)c3F)ccc2C1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
GRIN2B Q13224 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
USP30 Q70CQ3 1/20 0.39
BDKRB1 P46663 2/20 0.38
PARP1 P09874 1/20 0.38
MCHR1 Q99705 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
SCHEMBL1018404 0.99 PRMT5 (0.41) PRMT5WDR77GRIN2BKCNH2HRH3
SCHEMBL1019934 0.98 PRMT5 (0.42) PRMT5WDR77GRIN2BKCNH2HRH3
SCHEMBL1015291 0.93 ACHE (0.47) PRMT5WDR77GRIN2BKCNH2HRH3
SCHEMBL1018047 0.91 ACHE (0.47) PRMT5WDR77GRIN2BKCNH2HRH3
SCHEMBL1017333 0.86 HRH3 (0.43) GRIN2BKCNH2HRH3ALDH1A1KDM4E
SCHEMBL1018221 0.86 NAMPT (0.42) GRIN2BKCNH2HRH3ACHEALDH1A1
SCHEMBL1017816 0.86 MCHR1 (0.50) GRIN2BKCNH2HRH3ALDH1A1KDM4E
SCHEMBL1017697 0.86 HRH3 (0.41) GRIN2BKCNH2HRH3ALDH1A1KDM4E
SCHEMBL1014593 0.85 NAMPT (0.44) GRIN2BKCNH2HRH3ALDH1A1KDM4E
SCHEMBL1018211 0.85 NAMPT (0.44) GRIN2BKCNH2HRH3ALDH1A1KDM4E

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 13 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
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
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 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 (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 1697/4885GRIN2B 31/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 PRMT5 821/4885WDR77 1697/4885GRIN2B 31/4885

“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.