SCHEMBL6709573

SCHEMBL6709573

CCOc1cc(C)ccc1NC1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 2/20 0.39
ATAD2 Q6PL18 2/20 0.39
DDR1 Q08345 2/20 0.39
RECQL P46063 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
MRGPRX1 Q96LB2 1/20 0.37
HTR1A P08908 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PDE5A O76074 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL83376 0.77 BRD4 (0.48) MEN1KMT2ABRD4ATAD2IRAK4
SCHEMBL6710673 0.77 MAPT (0.58) TSHRKMT2AMAPTL3MBTL1ALOX15
Hydrochloric Acid SCHEMBL69073 0.76 BRD4 (0.47) MEN1KMT2ABRD4ATAD2IRAK4
SCHEMBL6709469 0.75 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL13419405 0.75 BRD4 (0.43) MEN1KMT2ABRD4ATAD2IRAK4
SCHEMBL3378226 0.74 DRD2 (0.43) BRD4ATAD2L3MBTL1
SCHEMBL12415583 0.74 BRD4 (0.40) MEN1KMT2ABRD4ATAD2DDR1
SCHEMBL82947 0.74 BRD4 (0.48) MEN1KMT2ABRD4ATAD2IRAK4
Hydrochloric Acid SCHEMBL69124 0.73 BRD4 (0.47) MEN1KMT2ABRD4ATAD2IRAK4
SCHEMBL18686703 0.72 TOP2A (0.39) BRD4ATAD2IRAK4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 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 (1 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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 TSHR 238/4885MEN1 4861/4885KMT2A 1470/4885

“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.