SCHEMBL4700328

SCHEMBL4700328

CCS(=O)(=O)Nc1cccc(C2(C(C)C)C3CNCC32)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.55
GRIA2 P42262 1/20 0.42
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
MAPT P10636 1/20 0.37
KDM1A O60341 1/20 0.37
KCNH2 Q12809 2/20 0.37
BRD4 O60885 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL6024070 0.84 OPRM1 (0.76) OPRM1KCNH2OPRD1OPRK1
SCHEMBL6653714 0.75 OPRM1 (0.47) OPRM1GRIA2ADRA2AADRA1AMAPT
SCHEMBL6653711 0.75 OPRM1 (0.47) OPRM1GRIA2ADRA2AADRA1AMAPT
Hydrochloric Acid SCHEMBL6022918 0.75 OPRM1 (0.70) OPRM1KCNH2BRD4OPRD1OPRK1
SCHEMBL4702848 0.73 OPRM1 (0.76) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4700198 0.72 OPRM1 (0.63) OPRM1KCNH2ALDH1A1OPRD1OPRK1
SCHEMBL5753674 0.71 OPRM1 (0.57) OPRM1KDM1AKCNH2BRD4ALDH1A1
Hydrochloric Acid SCHEMBL5757066 0.70 OPRM1 (0.56) OPRM1KDM1AKCNH2BRD4ALDH1A1
Hydrochloric Acid SCHEMBL18093444 0.70 OPRM1 (0.98) OPRM1KCNH2OPRD1OPRK1
Hydrochloric Acid SCHEMBL19987694 0.70 OPRM1 (0.98) OPRM1KCNH2OPRD1OPRK1

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 2/4885GRIA2 785/4885ADRA2A 163/4885
US-20050171178-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885GRIA2 1276/4885ADRA2A 206/4885
US-20070054950-A1 3-Azabicyclo[3.1.0]hexane derivatives OPRD1, OPRM1, OPRK1 OPRM1 2/4885GRIA2 1314/4885ADRA2A 219/4885

“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.