SCHEMBL4698332

SCHEMBL4698332

CCCC1(c2cccc(C(N)=O)c2)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.58
OPRK1 P41145 16/20 0.58
OPRD1 P41143 9/20 0.57
KCNH2 Q12809 2/20 0.57
ARRB1 P49407 2/20 0.45
BRD4 O60885 1/20 0.42

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
SCHEMBL4699788 0.91 OPRM1 (0.67) OPRM1OPRK1OPRD1KCNH2ARRB1
SCHEMBL4698672 0.81 OPRM1 (0.85) OPRM1OPRK1OPRD1KCNH2ARRB1
SCHEMBL4701734 0.81 KMT2A (0.41) OPRM1
SCHEMBL14564784 0.78 OPRK1 (0.52) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4703504 0.78 OPRM1 (0.54) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4700090 0.78 OPRM1 (0.59) OPRM1OPRK1OPRD1KCNH2ARRB1
SCHEMBL4701249 0.77 OPRM1 (0.51) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4703507 0.77 OPRM1 (0.63) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5406464 0.76 OPRM1 (0.58) OPRM1OPRK1OPRD1KCNH2ARRB1
SCHEMBL21220632 0.74 OPRM1 (0.67) OPRM1OPRK1OPRD1

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 3/4885OPRD1 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.