SCHEMBL3971869

SCHEMBL3971869

Clc1ccc2cc(C3CCCCC3)ccc2n1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.71
HRH3 Q9Y5N1 1/20 0.53
PSMB5 P28074 2/20 0.44
ABL1 P00519 2/20 0.41
ACMSD Q8TDX5 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 1/20 0.37
EPHX2 P34913 1/20 0.36
IDO1 P14902 1/20 0.35
CYP11B2 P19099 1/20 0.35
KMO O15229 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35

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
SCHEMBL22777973 0.83 BACE1 (0.49) BACE1HRH3ABL1ACMSDSLC6A2
SCHEMBL9157501 0.78 BACE1 (0.61) BACE1HRH3PSMB5ABL1ACMSD
SCHEMBL25833792 0.78 BACE1 (0.48) BACE1HRH3ACMSDSLC6A2SLC6A4
SCHEMBL28543658 0.76 BACE1 (0.59) BACE1HRH3PSMB5ABL1ACMSD
SCHEMBL20809028 0.75 BACE1 (0.60) BACE1HRH3PSMB5KCNH2CYP2D6
SCHEMBL3863146 0.74 BACE1 (0.58) BACE1HRH3PSMB5ABL1ACMSD
SCHEMBL31087555 0.73 BACE1 (0.58) BACE1HRH3PSMB5SLC6A2SLC6A4
SCHEMBL11460811 0.73 BACE1 (0.58) BACE1HRH3PSMB5SLC6A2SLC6A4
SCHEMBL20809362 0.73 BACE1 (0.57) BACE1HRH3PSMB5KCNH2CYP2D6
SCHEMBL20809057 0.73 BACE1 (0.57) BACE1HRH3PSMB5ABL1KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101805298-A Novel aryl-with heteroaryl-piperazine HIGH POINT PHARMACEUTICALS LLC 2010-08-18 CN disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
CN-1628109-A Novel aryl-and heteroaryl-piperazines NOVO NORDISK AS (DK) 2005-06-15 CN disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 BACE1 3643/4885HRH3 1/4885PSMB5 1103/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 BACE1 3643/4885HRH3 1/4885PSMB5 1103/4885

“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.