SCHEMBL6247490

SCHEMBL6247490

CCN(CC)C(=O)c1ccc(Cc2ccccc2OCCCCBr)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
DRD2 P14416 2/20 0.51
DRD1 P21728 2/20 0.51
DRD3 P35462 1/20 0.51
HRH1 P35367 5/20 0.47
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.45
LPAR1 Q92633 3/20 0.45
LPAR5 Q9H1C0 3/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 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
SCHEMBL6246559 0.98 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL6250344 0.94 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL6248255 0.82 ALDH1A1 (0.51) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL6247380 0.82 LPAR1 (0.56) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL6246721 0.80 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL6246561 0.80 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL6249197 0.79 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL9236565 0.77 TP53 (0.67) HPGDDRD2DRD1DRD3HRH1
SCHEMBL11627611 0.76 TP53 (0.65) HPGDDRD2DRD1DRD3HRH1
SCHEMBL6248039 0.76 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2ANPSR1

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 2141/4885HPGD 2331/4885MEN1 4883/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 ALDH1A1 1810/4885HPGD 2802/4885MEN1 4852/4885

“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.