SCHEMBL6797799

SCHEMBL6797799

COc1cccc(C(O)c2cccc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
AOC3 Q16853 2/20 0.46
KRAS P01116 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MTNR1A P48039 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1D P25100 2/20 0.42

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
SCHEMBL29090133 0.86 TRPV1 (0.47) AOC3L3MBTL1KMT2AMEN1MAPT
SCHEMBL30547017 0.86 TRPV1 (0.47) AOC3L3MBTL1KMT2AMEN1MAPT
SCHEMBL7221229 0.84 KMT2A (0.48) SLC6A2SLC6A4KRASL3MBTL1KMT2A
SCHEMBL27666065 0.84 SLC6A2 (0.46) SLC6A2SLC6A4AOC3KRASL3MBTL1
SCHEMBL8756705 0.83 AOC3 (0.49) AOC3L3MBTL1KMT2AMEN1CYP3A4
SCHEMBL6795411 0.82 SLC6A4 (0.47) SLC6A2SLC6A4AOC3KRASKMT2A
SCHEMBL6791147 0.80 KDM4A (0.51) AOC3L3MBTL1LMNASMN1; SMN2RAB9A
SCHEMBL6866452 0.80 AOC3 (0.47) AOC3L3MBTL1MTNR1ARAB9ANPC1
SCHEMBL2093768 0.80 AOC3 (0.59) AOC3L3MBTL1CYP3A4RAB9ANPC1
SCHEMBL6791737 0.80 MTNR1A (0.56) SLC6A2SLC6A4AOC3L3MBTL1KMT2A

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-20040138228-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2004-07-15 US disclosed
EP-1408037-A1 Novel diarylmethylpiperazine and diarylmethylphenyl compounds with analgesic effect AstraZeneca AB (SE) 2004-04-14 EP disclosed
US-6680321-B1 4-((1-PIPERAZINYLMETHYL)-BENZAMIDE DERIVATIVES; HYPOTENSIVE AGENTS; IMMUNOMODULATORS ASTRAZENECA CANADA, INC. (CA) 2004-01-20 US disclosed
US-6130222-A Compounds with analgesic effect ASTRA PHARMA INC. (CA) 2000-10-10 US disclosed
EP-0915855-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-05-19 EP disclosed
WO-1997023466-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 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-20040138228-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 SLC6A2 1081/4885SLC6A4 1098/4885AOC3 2942/4885

“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.