SCHEMBL6728261

SCHEMBL6728261

COc1c(C2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)ccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
HTR1A P08908 6/20 0.50
HTR7 P34969 2/20 0.49
ALDH1A1 P00352 2/20 0.49
DRD3 P35462 1/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX12 P18054 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR2A P28223 1/20 0.48
HTR6 P50406 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 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
SCHEMBL6784585 0.88 DRD2 (0.49) DRD2HTR1AHTR7DRD3HTR2A
SCHEMBL6709174 0.86 DRD2 (0.61) DRD2HTR1AHTR7DRD3ADRA1D
SCHEMBL6784237 0.85 DRD2 (0.43) DRD2HTR1AHTR7ALDH1A1DRD3
SCHEMBL6710692 0.84 DRD2 (0.49) DRD2HTR1AHTR7ALDH1A1DRD3
SCHEMBL6720905 0.84 SLC6A4 (0.54) DRD2DRD3MEN1ADRA1DKMT2A
SCHEMBL6789308 0.83 DRD2 (0.58) DRD2HTR1AHTR7ALDH1A1DRD3
SCHEMBL6724395 0.81 DRD2 (0.49) DRD2HTR7DRD3MEN1KMT2A
SCHEMBL5937368 0.81 DRD2 (0.50) DRD2HTR1AHTR7ALDH1A1DRD3
SCHEMBL6709241 0.78 HTR1A (0.62) DRD2HTR1AHTR7ALDH1A1DRD3
SCHEMBL6710778 0.77 DRD2 (0.58) DRD2HTR1AHTR7ALDH1A1DRD3

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 4 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-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

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-20040147557-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 DRD2 152/4885HTR1A 223/4885HTR7 321/4885

“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.