SCHEMBL4699790

SCHEMBL4699790

CCC1(c2cccc(N)c2)C2CN(Cc3ccccc3)CC21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.46
OPRK1 P41145 4/20 0.46
KCNH2 Q12809 3/20 0.45
OPRD1 P41143 2/20 0.45
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
FUCA1 P04066 2/20 0.39
DPP4 P27487 1/20 0.38
NPY1R P25929 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
SCHEMBL5756505 0.85 SIGMAR1 (0.52) OPRM1OPRK1KCNH2OPRD1
SCHEMBL14564782 0.85 LMNA (0.38) OPRM1OPRK1KCNH2OPRD1FUCA1
SCHEMBL4697773 0.85 OPRM1 (0.46) OPRM1OPRK1KCNH2OPRD1FUCA1
SCHEMBL4757382 0.85 OPRM1 (0.50) OPRM1OPRK1KCNH2OPRD1
SCHEMBL5755376 0.84 OPRM1 (0.50) OPRM1OPRK1OPRD1CHRM2CHRM3
SCHEMBL14564788 0.83 LMNA (0.43) OPRM1OPRK1KCNH2OPRD1FUCA1
SCHEMBL4697810 0.82 SIGMAR1 (0.54) OPRM1OPRK1CHRM2CHRM3
SCHEMBL4699788 0.82 OPRM1 (0.67) OPRM1OPRK1KCNH2OPRD1
SCHEMBL7071845 0.80 OPRM1 (0.45) OPRM1OPRK1KCNH2OPRD1
SCHEMBL5461970 0.79 KCNH2 (0.66) OPRM1OPRK1KCNH2OPRD1NPY1R

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.