SCHEMBL5754282

SCHEMBL5754282

Cn1cc(CCN2CC3C(C2)C3(C)c2cccc(NS(C)(=O)=O)c2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.64
KCNH2 Q12809 3/20 0.46
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
BRD4 O60885 1/20 0.40
CA2 P00918 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR2A P28223 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DUSP3 P51452 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
SCHEMBL5753433 0.85 OPRM1 (0.53) OPRM1KCNH2OPRD1OPRK1LMNA
SCHEMBL5756811 0.82 OPRM1 (0.68) OPRM1KCNH2OPRD1OPRK1ADRA1D
SCHEMBL5754983 0.82 OPRM1 (0.63) OPRM1KCNH2OPRD1OPRK1BRD4
SCHEMBL5755106 0.82 OPRM1 (0.63) OPRM1KCNH2OPRD1OPRK1ADRA1D
SCHEMBL5756455 0.82 OPRM1 (0.88) OPRM1KCNH2OPRD1OPRK1HTR2A
SCHEMBL5752774 0.80 OPRM1 (0.77) OPRM1KCNH2OPRD1OPRK1HTR2A
SCHEMBL5753484 0.78 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5754246 0.78 OPRM1 (0.70) OPRM1KCNH2OPRD1OPRK1CA2
SCHEMBL5754539 0.77 OPRM1 (0.94) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5755100 0.77 OPRM1 (0.73) OPRM1KCNH2OPRD1OPRK1HTR2A

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 7 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
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 US disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US disclosed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 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 (2 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-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 OPRM1 1488/4885KCNH2 4617/4885OPRD1 1723/4885
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.