SCHEMBL4702137

SCHEMBL4702137

CC(C)C1(c2cccc(NS(C)(=O)=O)c2)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.60
KCNH2 Q12809 4/20 0.51
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
NR3C1 P04150 2/20 0.43
ACHE P22303 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
GRIA2 P42262 1/20 0.40
ROCK2 O75116 2/20 0.40

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
SCHEMBL5755550 0.87 OPRM1 (0.78) OPRM1KCNH2OPRD1OPRK1NR3C1
SCHEMBL4698408 0.85 OPRM1 (0.74) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4703507 0.83 OPRM1 (0.63) OPRM1KCNH2OPRD1OPRK1NR3C1
SCHEMBL5753440 0.82 OPRM1 (0.57) OPRM1KCNH2OPRD1OPRK1GRIA2
SCHEMBL4699391 0.81 OPRM1 (0.76) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4702787 0.80 OPRM1 (0.57) OPRM1KCNH2OPRD1OPRK1GRIA2
SCHEMBL4702786 0.80 OPRM1 (0.57) OPRM1KCNH2OPRD1OPRK1GRIA2
SCHEMBL5393317 0.79 OPRM1 (0.53) OPRM1KCNH2OPRD1OPRK1NR3C1
SCHEMBL5755072 0.78 OPRM1 (0.66) OPRM1KCNH2OPRD1OPRK1ROCK2
SCHEMBL4702645 0.78 RORC (0.41) OPRM1OPRD1OPRK1SIGMAR1

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
EP-1440059-B1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2008-04-16 EP disclosed
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 542/4885OPRD1 1/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885KCNH2 561/4885OPRD1 1/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885KCNH2 546/4885OPRD1 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.