SCHEMBL4701249

SCHEMBL4701249

CCC1(c2cc(F)cc(C(N)=O)c2)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.51
OPRK1 P41145 8/20 0.51
OPRD1 P41143 4/20 0.51
KCNH2 Q12809 2/20 0.51
GAA P10253 1/20 0.40
CYP2D6 P10635 2/20 0.39
MAPK1 P28482 1/20 0.39
GRIN2B Q13224 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL14564784 0.88 OPRK1 (0.52) OPRM1OPRK1OPRD1KCNH2GAA
SCHEMBL4702121 0.86 OPRM1 (0.45) OPRM1OPRK1OPRD1KCNH2SIGMAR1
SCHEMBL4699788 0.86 OPRM1 (0.67) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4697868 0.82 OPRM1 (0.77) OPRM1OPRK1OPRD1KCNH2GRIN2B
SCHEMBL4702697 0.81 OPRM1 (0.41) OPRM1OPRK1OPRD1KCNH2SIGMAR1
SCHEMBL4698332 0.77 OPRM1 (0.58) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4699034 0.77 OPRM1 (0.57) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4699751 0.76 OPRM1 (0.40) OPRM1OPRK1OPRD1KCNH2TSHR
SCHEMBL14564788 0.75 LMNA (0.43) OPRM1OPRK1OPRD1KCNH2SIGMAR1
SCHEMBL4697321 0.75 OPRM1 (0.54) OPRM1OPRK1OPRD1KCNH2

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-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
EP-1440059-A1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2004-07-28 EP disclosed
US-20030087898-A1 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. 2003-05-08 US disclosed
WO-2003035622-A1 3-AZABICYCLO (3.1.0) HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-01 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 (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 2/4885OPRK1 3/4885OPRD1 1/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRK1 3/4885OPRD1 1/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRK1 3/4885OPRD1 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.