SCHEMBL1017478

SCHEMBL1017478

CC1CN(c2ncc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)CC(C)O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.41
LMNA P02545 5/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.38
ADRA1A P35348 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 3/20 0.37
SMO Q99835 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
SCHEMBL1016546 0.88 HSP90AA1 (0.44) HSP90AB1LMNAMAPTTP53POLB
SCHEMBL1016554 0.87 HSP90AA1 (0.45) HSP90AB1LMNAMAPTTP53POLB
SCHEMBL1017235 0.86 HSP90AB1 (0.47) HSP90AB1LMNAMAPTTP53ADRA1A
SCHEMBL1018303 0.85 HSP90AA1 (0.45) HSP90AB1LMNAMAPTTP53POLB
SCHEMBL1017977 0.85 IRAK4 (0.42) MAPTTP53ADRA1ASMO
SCHEMBL1014897 0.85 HSP90AB1 (0.47) HSP90AB1LMNAMAPTTP53ADRA1A
SCHEMBL1016426 0.83 HSP90AB1 (0.40) HSP90AB1LMNAMAPTTP53POLB
SCHEMBL1018846 0.82 HSP90AB1 (0.39) HSP90AB1LMNAMAPTTP53POLB
SCHEMBL1017882 0.82 HSP90AA1 (0.45) HSP90AB1LMNAHSP90AA1
SCHEMBL1018728 0.81 HSP90AB1 (0.42) HSP90AB1LMNAMAPTTP53POLB

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 10 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-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 HSP90AB1 2110/4885LMNA 4138/4885MAPT 979/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 HSP90AB1 2110/4885LMNA 4138/4885MAPT 979/4885

“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.