SCHEMBL1018095

SCHEMBL1018095

Cc1cnc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.36
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
ENPP2 Q13822 1/20 0.35
TMEM97 Q5BJF2 2/20 0.34
PLA2G7 Q13093 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL1017666 0.91 HRH3 (0.36) HTTNPSR1SMN1; SMN2KMT2APARP1
SCHEMBL1018826 0.90 KDM4E (0.39) HTTNPSR1SMN1; SMN2PARP1KDM4E
SCHEMBL1018602 0.89 HTT (0.38) HTTNPSR1SMN1; SMN2KMT2APARP1
SCHEMBL1018089 0.88 HRH3 (0.39) HTTNPSR1SMN1; SMN2PARP1KDM4E
SCHEMBL13748661 0.85 HTT (0.36) HTTNPSR1SMN1; SMN2KMT2APARP1
SCHEMBL1014999 0.84 HRH3 (0.38) HTTNPSR1SMN1; SMN2KMT2APARP1
SCHEMBL1071102 0.84 HRH3 (0.37) HTTNPSR1SMN1; SMN2KMT2APARP1
SCHEMBL1018899 0.83 SMN1; SMN2 (0.42) HTTNPSR1SMN1; SMN2KMT2APARP1
SCHEMBL13748659 0.83 HTT (0.38) HTTNPSR1SMN1; SMN2KMT2APARP1
SCHEMBL13748854 0.83 SLC6A9 (0.43) HTTNPSR1SMN1; SMN2KMT2APARP1

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 8 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
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

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 HTT 294/4885NPSR1 103/4885SMN1; SMN2 1615/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 HTT 294/4885NPSR1 103/4885SMN1; SMN2 1615/4885

“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.