SCHEMBL5754246

SCHEMBL5754246

CC1(c2cccc(NS(C)(=O)=O)c2)C2CN(CCc3ccc4ccccc4c3)CC21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.70
KCNH2 Q12809 4/20 0.48
OPRK1 P41145 3/20 0.46
OPRD1 P41143 2/20 0.46
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
ADRA1A P35348 1/20 0.41
SLC6A4 P31645 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL5752774 0.89 OPRM1 (0.77) OPRM1KCNH2OPRK1OPRD1DRD2
SCHEMBL5756455 0.89 OPRM1 (0.88) OPRM1KCNH2OPRK1OPRD1DRD2
SCHEMBL5755100 0.86 OPRM1 (0.73) OPRM1KCNH2OPRK1OPRD1DRD2
SCHEMBL5756024 0.86 OPRM1 (0.73) OPRM1KCNH2OPRK1OPRD1DRD2
SCHEMBL5755131 0.83 OPRM1 (0.69) OPRM1KCNH2OPRK1OPRD1
SCHEMBL5753484 0.82 OPRM1 (1.00) OPRM1KCNH2OPRK1OPRD1HTR7
SCHEMBL5754539 0.82 OPRM1 (0.94) OPRM1KCNH2OPRK1OPRD1HTR7
Hydrochloric Acid SCHEMBL5756166 0.82 OPRM1 (0.98) OPRM1KCNH2OPRK1OPRD1HTR7
SCHEMBL5755550 0.81 OPRM1 (0.78) OPRM1KCNH2OPRK1OPRD1ROCK2
SCHEMBL5756811 0.81 OPRM1 (0.68) OPRM1KCNH2OPRK1OPRD1HTR7

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-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
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 (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 3004/4885OPRK1 2/4885

“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.