SCHEMBL6712581

SCHEMBL6712581

COc1ccc(C(=O)C2CCN(C(C)=O)CC2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.63
CPS1 P31327 1/20 0.60
KDM2B Q8NHM5 3/20 0.60
ALDH1A1 P00352 4/20 0.56
RAB9A P51151 1/20 0.55
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 1/20 0.52
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL10634871 0.87 CPS1 (0.60) HSD11B1CPS1KDM2BALDH1A1RAB9A
SCHEMBL10963872 0.86 CPS1 (0.81) HSD11B1CPS1ALDH1A1LMNAHTT
SCHEMBL10638070 0.84 CPS1 (0.57) HSD11B1CPS1ALDH1A1LMNAHTT
SCHEMBL6987660 0.81 KDM2B (0.58) HSD11B1CPS1KDM2BALDH1A1RAB9A
SCHEMBL23215646 0.80 MGLL (0.49) HSD11B1CPS1ALDH1A1LMNAHTT
SCHEMBL29745184 0.80 MGLL (0.49) HSD11B1CPS1ALDH1A1LMNAHTT
SCHEMBL10640351 0.80 CPS1 (0.53) HSD11B1CPS1KDM2BALDH1A1LMNA
SCHEMBL9444479 0.80 HSD11B1 (0.43) HSD11B1CPS1KDM2BALDH1A1RAB9A
Hydrochloric Acid SCHEMBL11619068 0.80 KDM2B (0.57) HSD11B1CPS1KDM2BALDH1A1RAB9A
SCHEMBL7246949 0.79 POLB (0.78) HSD11B1ALDH1A1RAB9ALMNASMN1; SMN2

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
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
US-4110459-A ANALGESIC AMERICAN HOECHST CORPORATION (US) 1978-08-29 US disclosed
US-4101663-A ANTIHYPERTENSIVES AMERICAN HOECHST CORPORATION (US) 1978-07-18 US disclosed
US-4046900-A TRANQUILIZERS, HYPOTENSIVES, ANALGESICS AMERICAN HOECHST CORPORATION (US) 1977-09-06 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 (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 HSD11B1 1869/4885CPS1 3956/4885KDM2B 2338/4885

“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.