SCHEMBL5486045

SCHEMBL5486045

CCC1(c2cccc(N)c2)C2CN(CCCC3(C#N)CCCC3)CC21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.50
KCNH2 Q12809 4/20 0.50
OPRK1 P41145 4/20 0.50
OPRD1 P41143 3/20 0.50
OPRL1 P41146 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
SCHEMBL5464005 0.85 OPRM1 (0.55) OPRM1KCNH2OPRK1OPRD1
SCHEMBL5476183 0.85 OPRM1 (0.54) OPRM1KCNH2OPRK1OPRD1
SCHEMBL4698334 0.83 OPRM1 (0.69) OPRM1KCNH2OPRK1OPRD1
SCHEMBL5852037 0.83 OPRM1 (0.74) OPRM1KCNH2OPRK1OPRD1
SCHEMBL4700305 0.82 OPRM1 (0.76) OPRM1KCNH2OPRK1OPRD1
SCHEMBL5757025 0.79 OPRM1 (0.45) OPRM1KCNH2OPRK1OPRD1
SCHEMBL4700091 0.76 OPRM1 (0.60) OPRM1KCNH2OPRK1OPRD1
SCHEMBL5756505 0.76 SIGMAR1 (0.52) OPRM1KCNH2OPRK1OPRD1
Citric Acid SCHEMBL4755344 0.74 OPRM1 (0.59) OPRM1KCNH2OPRK1OPRD1
SCHEMBL5753298 0.74 OPRM1 (0.40) OPRM1KCNH2OPRK1OPRD1

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 OPRM1 2/4885KCNH2 542/4885OPRK1 3/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885KCNH2 561/4885OPRK1 3/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885KCNH2 546/4885OPRK1 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.