SCHEMBL5486420

SCHEMBL5486420

CCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CC3CC(O)(c4ccccc4)C3)CC21

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.74
OPRM1 P35372 19/20 0.66
OPRD1 P41143 3/20 0.66
OPRK1 P41145 3/20 0.66

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
SCHEMBL5486421 1.00 KCNH2 (0.74) KCNH2OPRM1OPRD1OPRK1
SCHEMBL5851657 0.91 KCNH2 (0.67) KCNH2OPRM1OPRD1OPRK1
SCHEMBL5851653 0.91 KCNH2 (0.67) KCNH2OPRM1OPRD1OPRK1
SCHEMBL5608182 0.85 KCNH2 (1.00) KCNH2OPRM1OPRD1OPRK1
SCHEMBL4698408 0.82 OPRM1 (0.74) KCNH2OPRM1OPRD1OPRK1
SCHEMBL4697672 0.81 OPRM1 (0.75) KCNH2OPRM1OPRD1OPRK1
SCHEMBL4697675 0.81 OPRM1 (0.75) KCNH2OPRM1OPRD1OPRK1
SCHEMBL7074929 0.81 KCNH2 (0.68) KCNH2OPRM1OPRD1OPRK1
SCHEMBL4754571 0.80 OPRM1 (0.66) KCNH2OPRM1OPRD1OPRK1
SCHEMBL4754572 0.80 OPRM1 (0.66) KCNH2OPRM1OPRD1OPRK1

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
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2007-03-08 US 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 (3 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 KCNH2 542/4885OPRM1 2/4885OPRD1 1/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 KCNH2 561/4885OPRM1 2/4885OPRD1 1/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 KCNH2 546/4885OPRM1 2/4885OPRD1 1/4885

“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.