SCHEMBL6251985

SCHEMBL6251985

CCN(CC)C(=O)c1ccc(Cc2ccc(OC(C)=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HPGD P15428 4/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MLYCD O95822 1/20 0.46
ELANE P08246 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LPAR1 Q92633 2/20 0.44
LPAR5 Q9H1C0 2/20 0.44
ESR1 P03372 1/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44

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
SCHEMBL6246898 0.86 HPGD (0.48) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL6251672 0.82 ALDH1A1 (0.46) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL6246721 0.82 ALDH1A1 (0.53) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL777803 0.82 ELANE (0.62) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL2688206 0.80 KMT2A (0.70) ALDH1A1MAPTLMNARAB9AHPGD
SCHEMBL2689787 0.80 KMT2A (0.61) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL4577082 0.79 HPGD (0.69) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL1495914 0.79 MEN1 (0.79) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL5703500 0.76 HPGD (0.73) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL13133117 0.76 KMT2A (0.56) ALDH1A1MAPTLMNANPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256575-B1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA (JP) 2005-08-17 EP disclosed
US-6916822-B2 Phenoxyalkylamine derivatives useful as opioid δ receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-12 US disclosed
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-07 US disclosed
US-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2003-09-11 US disclosed
EP-1256575-A1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-11-13 EP 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-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists OPRM1, OPRK1, OPRD1 ALDH1A1 2141/4885MAPT 2335/4885LMNA 2796/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 ALDH1A1 1810/4885MAPT 2198/4885LMNA 2076/4885

“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.