SCHEMBL6707933

SCHEMBL6707933

COc1cc(C(C)C)ccc1C1CCN(C(C)=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.53
SOS1 Q07889 6/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KRAS P01116 1/20 0.45
PDE4B Q07343 1/20 0.45
SLC9A1 P19634 1/20 0.44
ADAM17 P78536 2/20 0.44
ADAMTS5 Q9UNA0 2/20 0.44
TP53 P04637 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CREBBP Q92793 1/20 0.41

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
SCHEMBL6707225 0.86 CHRM4 (0.47) QDPRSOS1MEN1KMT2AKRAS
SCHEMBL6712511 0.83 QDPR (0.52) QDPRSOS1KMT2ASLC9A1TLR7
SCHEMBL25691218 0.82 ALDH1A1 (0.48) QDPRMEN1KMT2AALDH1A1
SCHEMBL27016299 0.82 HDAC4 (0.46) MEN1KMT2AALDH1A1
SCHEMBL6712503 0.81 QDPR (0.54) QDPRSOS1MEN1KMT2APDE4B
SCHEMBL13917718 0.78 MEN1 (0.72) QDPRMEN1KMT2AKDM4EBRD4
SCHEMBL3378363 0.78 HTR1A (0.46) MEN1KMT2APDE4BTLR7ALDH1A1
SCHEMBL17660573 0.77 LMNA (0.49) KMT2AKDM4EALDH1A1
SCHEMBL17660575 0.76 CHRM4 (0.46) TLR7
SCHEMBL5670914 0.76 QDPR (0.57) QDPRSOS1TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression BOUILLOT ANNE (FR) 2004-07-29 US disclosed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
US-6673555-B1 USE OF SREBP CLEAVAGE-ACTIVATING PROTEIN (SCAP) TO SCREEN FOR AGENTS HAVING SCAP BINDING CHARACTERISTICS; USE IN COMBATING DISEASES ASSOCIATED WITH ELEVATED BLOOD LIPID LEVELS; SREBP: STEROL REGULATORY ELEMENT BINDING PROTEIN SMITHKLINE BEECHAM CORPORATION 2004-01-06 US disclosed
US-20030224347-A1 Pharmaceutical compositions GRAND-PERRET THIERRY ANDRE REG (FR) 2003-12-04 US disclosed
US-20030224348-A1 Methods of screening for SCAP antagonists GRAND-PERRET THIERRY ANDRE REG (FR) 2003-12-04 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
EP-1351937-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055497-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO disclosed
EP-1196783-A2 SCREENING FOR THERAPEUTIC AGENTS BEING SCAP ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-04-17 EP disclosed
WO-2001006261-A2 SCREENING FOR THERAPEUTIC AGENTS BEING SCAP ANTAGONISTS GLAXO GROUP LIMITED (GB) 2001-01-25 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-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 QDPR 1864/4885SOS1 3728/4885MEN1 4787/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 QDPR 658/4885SOS1 4458/4885MEN1 4861/4885

“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.