SCHEMBL4699751

SCHEMBL4699751

CCC1(c2cc(F)cc(C(N)=O)c2)C2CNCC21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.40
OPRK1 P41145 2/20 0.39
KCNH2 Q12809 2/20 0.39
OPRD1 P41143 1/20 0.39
PARP1 P09874 1/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4698940 0.83 OPRM1 (0.43) OPRM1SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL4698125 0.80 OPRM1 (0.57) OPRM1OPRK1KCNH2OPRD1PARP1
Hydrochloric Acid SCHEMBL18091638 0.78 OPRM1 (0.38) OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL4701249 0.76 OPRM1 (0.51) OPRM1OPRK1KCNH2OPRD1TSHR
SCHEMBL4697868 0.73 OPRM1 (0.77) OPRM1OPRK1KCNH2OPRD1
SCHEMBL21238328 0.72 OPRM1 (0.71) OPRM1OPRK1KCNH2TSHR
SCHEMBL4697321 0.72 OPRM1 (0.54) OPRM1OPRK1KCNH2OPRD1
SCHEMBL4702618 0.72 OPRM1 (0.52) OPRM1OPRK1KCNH2OPRD1
SCHEMBL4703504 0.70 OPRM1 (0.54) OPRM1OPRK1KCNH2OPRD1PARP1
SCHEMBL21242634 0.70 OPRM1 (0.57) OPRM1

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

“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.