SCHEMBL6251996

SCHEMBL6251996

CCOC(=O)N1CCC(Nc2c(C)cccc2N)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.57
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
USP2 O75604 2/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
CDK2 P24941 1/20 0.54
GAA P10253 2/20 0.54
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NOS1 P29475 2/20 0.52
NOS3 P29474 1/20 0.52

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
SCHEMBL11447225 0.91 NOS2 (0.63) NOS2KDM4ELMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL11448975 0.90 NOS2 (0.62) NOS2KDM4ELMNAALDH1A1MAPT
SCHEMBL22605914 0.86 ALDH1A1 (0.55) KDM4EALDH1A1MAPTHTTCDK2
SCHEMBL4918724 0.82 NOS2 (0.62) NOS2KDM4ELMNAALDH1A1MAPT
SCHEMBL6251696 0.81 ALDH1A1 (0.54) NOS2KDM4ELMNAALDH1A1MAPT
SCHEMBL11447446 0.81 NOS2 (0.60) NOS2KDM4ELMNAALDH1A1MAPT
SCHEMBL13319035 0.79 NOS2 (0.67) NOS2KDM4ELMNAALDH1A1MAPT
SCHEMBL16359223 0.78 KDM4E (0.61) NOS2KDM4ELMNAALDH1A1MAPT
SCHEMBL8489344 0.77 NOS2 (0.56) NOS2KDM4ELMNAALDH1A1MAPT
SCHEMBL16787433 0.77 CD44 (0.43) KDM4ELMNAALDH1A1MAPTNPSR1

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 NOS2 3209/4885KDM4E 2818/4885LMNA 2796/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 NOS2 2175/4885KDM4E 1727/4885LMNA 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.