SCHEMBL1018368

SCHEMBL1018368

O=C(CN1CCc2cc(-c3cncnc3)ccc2C1)N1CCN(C2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
MAPK1 P28482 12/20 0.41
HRH3 Q9Y5N1 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.37
NAMPT P43490 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
SCHEMBL1018075 0.92 HRH3 (0.49) PRMT5WDR77MAPK1HRH3ALDH1A1
SCHEMBL1019051 0.92 HRH3 (0.47) PRMT5WDR77MAPK1HRH3ALDH1A1
SCHEMBL1016412 0.91 HRH3 (0.46) PRMT5WDR77MAPK1HRH3ALDH1A1
SCHEMBL1603655 0.86 PRMT5 (0.38) PRMT5WDR77MAPK1ALDH1A1HSP90AA1
SCHEMBL1017462 0.85 HRH3 (0.51) PRMT5WDR77MAPK1HRH3ALDH1A1
SCHEMBL1017628 0.84 HRH3 (0.42) PRMT5WDR77MAPK1HRH3
SCHEMBL1016623 0.83 PRMT5 (0.39) PRMT5WDR77MAPK1HRH3ALDH1A1
SCHEMBL1018730 0.83 HRH3 (0.40) PRMT5WDR77MAPK1HRH3ALDH1A1
SCHEMBL1014200 0.82 PKM (0.44) PRMT5WDR77MAPK1HRH3ALDH1A1
SCHEMBL1604044 0.82 PKM (0.44) PRMT5WDR77MAPK1HRH3ALDH1A1

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 1697/4885MAPK1 3703/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 PRMT5 821/4885WDR77 1697/4885MAPK1 3703/4885

“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.