SCHEMBL1017462

SCHEMBL1017462

O=C(CN1CCc2ccc(-c3cncnc3)cc2CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.51
KDM2B Q8NHM5 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 1/20 0.39
MCHR1 Q99705 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 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
SCHEMBL1018075 0.94 HRH3 (0.49) HRH3KDM2BMAPK1PARP1MCHR1
SCHEMBL1019051 0.92 HRH3 (0.47) HRH3KDM2BMAPK1PARP1MCHR1
SCHEMBL1016412 0.91 HRH3 (0.46) HRH3KDM2BMAPK1PARP1MCHR1
SCHEMBL1018368 0.85 PRMT5 (0.41) HRH3MAPK1ALDH1A1PRMT5WDR77
SCHEMBL1017628 0.85 HRH3 (0.42) HRH3MAPK1MCHR1PRMT5WDR77
SCHEMBL1017463 0.83 MCHR1 (0.46) HRH3KDM2BPARP1MCHR1KDM4E
SCHEMBL1018730 0.83 HRH3 (0.40) HRH3MAPK1KDM4EALDH1A1PRMT5
SCHEMBL12953602 0.81 PRMT5 (0.38) HRH3MAPK1KDM4EALDH1A1PRMT5
SCHEMBL3774147 0.81 HRH3 (0.55) HRH3KDM2BMAPK1KDM4EALDH1A1
SCHEMBL1017701 0.81 HRH3 (0.53) HRH3KDM2BPRMT5WDR77

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-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

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 HRH3 1/4885KDM2B 2055/4885MAPK1 3703/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 HRH3 1/4885KDM2B 2055/4885MAPK1 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.