SCHEMBL6707982

SCHEMBL6707982

COc1cc(C(C)C)ccc1C1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.56
HTR1A P08908 6/20 0.55
ALDH1A1 P00352 2/20 0.55
HTR7 P34969 2/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX12 P18054 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
DRD3 P35462 6/20 0.53
MAOB P27338 3/20 0.50
HTR2A P28223 1/20 0.49

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
SCHEMBL6709310 0.90 DRD2 (0.51) DRD2HTR1AALDH1A1HTR7MEN1
SCHEMBL6709241 0.87 HTR1A (0.62) DRD2HTR1AALDH1A1HTR7MEN1
SCHEMBL6710778 0.86 DRD2 (0.58) DRD2HTR1AALDH1A1HTR7MEN1
SCHEMBL3378367 0.82 DRD2 (0.46) DRD2HTR1AALDH1A1HTR7MEN1
SCHEMBL8042421 0.80 DRD2 (0.63) DRD2HTR1AALDH1A1HTR7MEN1
SCHEMBL8042425 0.80 DRD2 (0.63) DRD2HTR1AALDH1A1HTR7MEN1
SCHEMBL3378363 0.79 HTR1A (0.46) DRD2HTR1AALDH1A1HTR7MEN1
SCHEMBL6784528 0.77 HTR1A (0.51) DRD2HTR1AALDH1A1HTR7MEN1
SCHEMBL5937286 0.77 HTR1A (0.51) DRD2HTR1AALDH1A1HTR7MEN1
SCHEMBL6789308 0.76 DRD2 (0.58) DRD2HTR1AALDH1A1HTR7MEN1

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 7 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-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 DRD2 152/4885HTR1A 223/4885ALDH1A1 1002/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 DRD2 1008/4885HTR1A 959/4885ALDH1A1 947/4885

“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.