SCHEMBL1017172

SCHEMBL1017172

CC(=O)c1ccc2c(c1)CCN(CC(=O)N1CCN(C3CCC3)CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HRH3 Q9Y5N1 10/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 1/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1018389 0.94 HRH3 (0.46) KDM2BHTTNPSR1HRH3ALDH1A1
SCHEMBL1016580 0.92 HTT (0.43) KDM2BHTTNPSR1HRH3L3MBTL3
SCHEMBL1018194 0.90 ALDH1A1 (0.45) KDM2BHRH3ALDH1A1GAAPKM
SCHEMBL1017674 0.90 KDM2B (0.44) KDM2BHTTNPSR1L3MBTL3L3MBTL1
SCHEMBL1020245 0.90 HRH3 (0.44) KDM2BHRH3L3MBTL3L3MBTL1ALDH1A1
SCHEMBL1017100 0.89 HRH3 (0.54) KDM2BHRH3L3MBTL3L3MBTL1ALDH1A1
SCHEMBL1017944 0.89 ACACB (0.47) KDM2BHRH3L3MBTL3L3MBTL1ALDH1A1
SCHEMBL1014264 0.89 ALDH1A1 (0.40) KDM2BALDH1A1GAAPKMHSD17B10
SCHEMBL1017553 0.88 HRH3 (0.50) HRH3L3MBTL3L3MBTL1ALDH1A1
SCHEMBL12953761 0.88 HDAC6 (0.43) KDM2BHRH3L3MBTL3L3MBTL1ALDH1A1

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 KDM2B 2055/4885HTT 294/4885NPSR1 103/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 KDM2B 2055/4885HTT 294/4885NPSR1 103/4885

“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.