SCHEMBL4698128

SCHEMBL4698128

CCC1(c2cccc(N)c2)C2CNCC21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.54
SLC6A2 P23975 9/20 0.40
SLC6A4 P31645 9/20 0.40
SLC6A3 Q01959 9/20 0.40
NPY1R P25929 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
OPRK1 P41145 2/20 0.36
KCNH2 Q12809 2/20 0.36
OPRD1 P41143 1/20 0.36
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 2/20 0.35
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL4703423 0.81 OPRM1 (0.54) OPRM1SLC6A2SLC6A4SLC6A3OPRK1
SCHEMBL4698125 0.79 OPRM1 (0.57) OPRM1OPRK1KCNH2OPRD1
Hydrochloric Acid SCHEMBL18091638 0.76 OPRM1 (0.38) OPRM1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL14564789 0.75 OPRM1 (0.44) OPRM1SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL7071845 0.74 OPRM1 (0.45) OPRM1OPRK1KCNH2OPRD1
SCHEMBL4699790 0.74 OPRM1 (0.46) OPRM1NPY1ROPRK1KCNH2OPRD1
SCHEMBL4702848 0.74 OPRM1 (0.76) OPRM1OPRK1KCNH2OPRD1
SCHEMBL6024070 0.74 OPRM1 (0.76) OPRM1OPRK1KCNH2OPRD1
SCHEMBL5757025 0.73 OPRM1 (0.45) OPRM1OPRK1KCNH2OPRD1
SCHEMBL5461970 0.71 KCNH2 (0.66) OPRM1NPY1ROPRK1KCNH2OPRD1

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 2/4885SLC6A2 2828/4885SLC6A4 2179/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885SLC6A2 2353/4885SLC6A4 1950/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885SLC6A2 2579/4885SLC6A4 2209/4885

“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.