SCHEMBL5755097

SCHEMBL5755097

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CCCc3nc4ccccc4s3)CC21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.68
KCNH2 Q12809 3/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
DRD2 P14416 10/20 0.44
DRD3 P35462 10/20 0.44
DRD4 P21917 8/20 0.44
HTR1A P08908 7/20 0.44
HTR7 P34969 7/20 0.44
HRH1 P35367 3/20 0.44
HTR2B P41595 3/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2C P18825 2/20 0.44
SLC6A2 P23975 2/20 0.44
ADRA1A P35348 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC6A4 P31645 2/20 0.43
HTR2A P28223 5/20 0.43
HTR2C P28335 3/20 0.43
DRD1 P21728 2/20 0.43

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
SCHEMBL5756546 0.85 OPRM1 (0.51) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5753484 0.81 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1HTR7
Hydrochloric Acid SCHEMBL5756166 0.80 OPRM1 (0.98) OPRM1KCNH2OPRD1OPRK1HTR7
SCHEMBL5755067 0.79 OPRM1 (0.74) OPRM1KCNH2OPRD1OPRK1HTR7
SCHEMBL5755127 0.79 OPRM1 (0.83) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5754539 0.78 OPRM1 (0.94) OPRM1KCNH2OPRD1OPRK1HTR7
Acetic Acid SCHEMBL5756411 0.78 OPRM1 (0.92) OPRM1KCNH2OPRD1OPRK1HTR7
SCHEMBL5753174 0.78 OPRM1 (0.75) OPRM1KCNH2OPRD1OPRK1HTR7
SCHEMBL5755145 0.78 OPRM1 (0.72) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755033 0.78 OPRM1 (0.75) OPRM1KCNH2OPRD1OPRK1HTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP claimed
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP disclosed
US-7049444-B2 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. (US) 2006-05-23 US disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 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 (1 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-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885KCNH2 3004/4885OPRD1 3/4885

“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.