SCHEMBL5753435

SCHEMBL5753435

CC1(c2cccc(O)c2)C2CN(CCCc3ccccc3)CC21

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.66
OPRD1 P41143 11/20 0.64
OPRK1 P41145 10/20 0.58
ADRA2A P08913 1/20 0.56
AR P10275 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR2A P28223 1/20 0.56
ADRA1A P35348 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KCNH2 Q12809 1/20 0.56
SCN5A Q14524 1/20 0.56

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
SCHEMBL7965735 0.85 OPRM1 (0.66) OPRM1OPRD1OPRK1ADRA2AAR
SCHEMBL5754673 0.85 OPRM1 (0.66) OPRM1OPRD1OPRK1ADRA2AAR
SCHEMBL5751643 0.85 OPRM1 (0.66) OPRM1OPRD1OPRK1ADRA2AAR
SCHEMBL5752933 0.82 DRD3 (0.57) OPRM1OPRD1OPRK1
SCHEMBL5754727 0.82 OPRM1 (0.62) OPRM1OPRD1OPRK1
SCHEMBL5753484 0.80 OPRM1 (1.00) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5754694 0.79 OPRM1 (0.83) OPRM1OPRD1OPRK1KCNH2
Hydrochloric Acid SCHEMBL5756166 0.79 OPRM1 (0.98) OPRM1OPRD1OPRK1KCNH2
Acetic Acid SCHEMBL5756411 0.79 OPRM1 (0.92) OPRM1OPRD1OPRK1KCNH2
SCHEMBL8351457 0.78 OPRM1 (1.00) OPRM1OPRD1OPRK1

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 6 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
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 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 1/4885OPRD1 3/4885OPRK1 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.