SCHEMBL6797137

SCHEMBL6797137

CCN(CC)C(=O)c1ccc(Cc2cccc(OC)c2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LPAR1 Q92633 5/20 0.49
LPAR5 Q9H1C0 5/20 0.49
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
CYP1A2 P05177 2/20 0.48
BLM P54132 1/20 0.48
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
HSD11B1 P28845 1/20 0.43
TSHR P16473 1/20 0.41
CYP3A4 P08684 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
SCHEMBL6247380 0.87 LPAR1 (0.56) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL2048377 0.86 HSP90AA1 (0.52) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL8637118 0.79 ALDH1A1 (0.61) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL6246721 0.77 ALDH1A1 (0.53) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL6796246 0.75 LMNA (0.50) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL6246739 0.74 HSP90AA1 (0.56) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL6250344 0.74 ALDH1A1 (0.53) ALDH1A1HPGDKMT2AMEN1NPSR1
SCHEMBL6791759 0.74 OPRD1 (0.53) OPRM1OPRD1
SCHEMBL2052119 0.73 OPRD1 (0.46) OPRM1OPRD1
SCHEMBL2042054 0.73 USP2 (0.43) ALDH1A1HPGDKMT2AMEN1NPSR1

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 ALDH1A1 539/4885HPGD 517/4885KMT2A 4481/4885

“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.