SCHEMBL6802252

SCHEMBL6802252

CCN(CC)C(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.69
ALDH1A1 P00352 5/20 0.69
MAPT P10636 2/20 0.69
MLYCD O95822 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALDH2 P05091 1/20 0.57
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSP90AA1 P07900 2/20 0.55
HSP90AB1 P08238 2/20 0.55
GAA P10253 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51

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
SCHEMBL5703500 0.91 HPGD (0.73) HPGDALDH1A1MAPTMLYCDL3MBTL1
SCHEMBL6469676 0.89 ALDH1A1 (0.66) HPGDALDH1A1MAPTMLYCDL3MBTL1
SCHEMBL72112 0.84 HPGD (0.85) HPGDALDH1A1MAPTMLYCDL3MBTL1
SCHEMBL26314066 0.83 MLYCD (0.64) HPGDALDH1A1MAPTMLYCDSMN1; SMN2
SCHEMBL7321474 0.83 HSP90AA1 (0.56) HPGDALDH1A1MAPTMLYCDL3MBTL1
SCHEMBL1806308 0.83 HPGD (0.63) HPGDALDH1A1MAPTMLYCDL3MBTL1
SCHEMBL121475 0.83 HPGD (0.66) HPGDALDH1A1MAPTMLYCDL3MBTL1
Fluoride SCHEMBL28693456 0.83 HPGD (0.81) HPGDALDH1A1MAPTMLYCDL3MBTL1
Hydrochloric Acid SCHEMBL8527466 0.83 HPGD (0.81) HPGDALDH1A1MAPTMLYCDL3MBTL1
Hydrochloric Acid SCHEMBL6612619 0.83 HPGD (0.81) HPGDALDH1A1MAPTMLYCDL3MBTL1

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 9 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
CN-1119336-C Novel compounds with analgesic action ASTRA PHARMA INC (CA) 2003-08-27 CN disclosed
US-6384065-B1 CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, TOYAMA CHEMICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1076056-A1 NOVEL SPIRO COMPOUNDS OR SALTS THEREOF AND PREVENTIVES/REMEDIES FOR AUTOIMMUNE DISEASES AND AP-1 INHIBITORS CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2001-02-14 EP disclosed
EP-0915855-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-05-19 EP disclosed
CN-1209124-A Novel compounds with analgesic effect ASTRA PHARMA INC (CA) 1999-02-24 CN 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 HPGD 517/4885ALDH1A1 539/4885MAPT 2353/4885

“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.