SCHEMBL4757382

SCHEMBL4757382

CCC1(c2cccc(O)c2)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.50
OPRD1 P41143 12/20 0.50
OPRK1 P41145 11/20 0.50
DRD2 P14416 2/20 0.49
KCNH2 Q12809 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL14564786 0.85 FUCA1 (0.40) OPRM1OPRD1OPRK1DRD2KCNH2
SCHEMBL4697773 0.85 OPRM1 (0.46) OPRM1OPRD1OPRK1DRD2KCNH2
SCHEMBL4699790 0.85 OPRM1 (0.46) OPRM1OPRD1OPRK1KCNH2
SCHEMBL4697810 0.82 SIGMAR1 (0.54) OPRM1OPRK1DRD2DRD3
SCHEMBL4699788 0.82 OPRM1 (0.67) OPRM1OPRD1OPRK1KCNH2
SCHEMBL14564788 0.80 LMNA (0.43) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5469355 0.79 KCNH2 (0.66) OPRM1OPRD1OPRK1KCNH2
SCHEMBL4702121 0.79 OPRM1 (0.45) OPRM1OPRD1OPRK1DRD2KCNH2
SCHEMBL4698357 0.79 LMNA (0.42) OPRM1OPRD1OPRK1DRD2KCNH2
SCHEMBL4756157 0.78 OPRM1 (0.49) OPRM1OPRD1OPRK1DRD2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440059-B1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2008-04-16 EP disclosed
US-7049335-B2 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. (US) 2006-05-23 US disclosed
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC 2005-08-04 US disclosed
US-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2003-05-08 US 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-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885OPRK1 3/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885OPRK1 3/4885

“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.