SCHEMBL1018762

SCHEMBL1018762

CC(C)N1CCN(C(=O)CN2CCc3cc(-c4ccc(N(C)C)cc4)ccc3C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
PRMT5 O14744 9/20 0.45
WDR77 Q9BQA1 9/20 0.45
HRH3 Q9Y5N1 6/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1018123 0.91 PRMT5 (0.43) RAB9AGFERPRMT5WDR77HRH3
SCHEMBL1017851 0.89 MEN1 (0.49) PRMT5WDR77HRH3ALDH1A1PKM
SCHEMBL1018706 0.88 ACACB (0.43) HRH3ALDH1A1PKMGAAHSD17B10
SCHEMBL1017932 0.87 MAPT (0.44) HRH3ALDH1A1PKMGAAHSD17B10
SCHEMBL1018776 0.86 HRH3 (0.41) PRMT5WDR77HRH3ALDH1A1PKM
SCHEMBL1020441 0.86 ALDH1A1 (0.50) GFERPRMT5WDR77HRH3ALDH1A1
SCHEMBL1604050 0.86 ALDH1A1 (0.50) GFERPRMT5WDR77HRH3ALDH1A1
SCHEMBL1017273 0.85 HRH3 (0.42) PRMT5WDR77HRH3ALDH1A1PKM
SCHEMBL1017104 0.85 ALDH1A1 (0.44) PRMT5WDR77HRH3ALDH1A1PKM
SCHEMBL1067935 0.85 HRH3 (0.40) HRH3ALDH1A1PKMGAAHSD17B10

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 9 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
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 RAB9A 1371/4885GFER 2704/4885PRMT5 821/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 RAB9A 1371/4885GFER 2704/4885PRMT5 821/4885

“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.