SCHEMBL4859595

SCHEMBL4859595

CCCCN1C2CCC1CC(N(C(=O)O)C(C)(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A4 P31645 1/20 0.34
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4300301 0.74 L3MBTL1 (0.51) OPRM1OPRD1LMNAKMT2A
SCHEMBL2883737 0.72 SLC6A3 (0.47) OPRM1OPRD1ALDH1A1SLC6A3SLC6A2
SCHEMBL4855022 0.71 LTA4H (0.46) SLC6A2DRD2DRD4DRD3SLC6A4
SCHEMBL24087139 0.69 LMNA (0.52) OPRM1OPRD1ALDH1A1SLC6A3SLC6A2
SCHEMBL11101352 0.68 OPRM1 (0.48) OPRM1OPRD1ALDH1A1
SCHEMBL19358514 0.68 KDM4E (0.31) GMNNLMNATP53NFKB1THPO
SCHEMBL4859604 0.68 KMT2A (0.53) ALDH1A1SLC6A3SLC6A2DRD2CHRM1
SCHEMBL19358512 0.68 KDM4E (0.31) GMNNLMNATP53NFKB1THPO
SCHEMBL1306189 0.67 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL27292950 0.67 SLC6A3 (0.44) OPRM1OPRD1ALDH1A1SLC6A3SLC6A2

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
US-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US disclosed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US disclosed
EP-1440075-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2004-07-28 EP disclosed
WO-2003037904-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2003-05-08 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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 OPRM1 112/4885OPRD1 101/4885ALDH1A1 1130/4885

“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.