SCHEMBL5753697

SCHEMBL5753697

O=C1CC(=O)N(CCCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.49
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ACHE P22303 1/20 0.46
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
HDAC3 O15379 1/20 0.43

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
SCHEMBL31161862 0.90 ACHE (0.55) SIGMAR1GSK3AGSK3BMEN1USP2
SCHEMBL9686511 0.79 L3MBTL1 (0.50) GSK3AGSK3BMEN1USP2GAA
SCHEMBL2022181 0.74 KDM4E (0.61) GAAMAPTKMT2AHSD17B10L3MBTL1
SCHEMBL30278349 0.73 ACHE (0.58) GSK3AGSK3BMEN1USP2GAA
SCHEMBL10750812 0.73 GAA (0.51) SIGMAR1GSK3AGSK3BMEN1USP2
SCHEMBL23004832 0.73 ACHE (0.58) GSK3AGSK3BMEN1USP2GAA
SCHEMBL8882276 0.73 L3MBTL1 (0.57) SIGMAR1GAAKMT2AL3MBTL1SLC6A2
SCHEMBL17117358 0.72 SIGMAR1 (0.56) SIGMAR1GSK3AGSK3BSLC6A3POLB
SCHEMBL10158775 0.72 MAPT (0.80) SIGMAR1GSK3AGSK3BMEN1USP2
SCHEMBL40501 0.72 GSK3A (0.65) SIGMAR1GSK3AGSK3BMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP disclosed
US-7049444-B2 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. (US) 2006-05-23 US disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US disclosed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 US disclosed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US disclosed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 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 (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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 SIGMAR1 16/4885GSK3A 3405/4885GSK3B 2941/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 SIGMAR1 16/4885GSK3A 3405/4885GSK3B 2941/4885

“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.