SCHEMBL5756887

SCHEMBL5756887

CCCCCCN1CC2C(C1)C2(C)c1cc(NS(C)(=O)=O)c(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP19A1 P11511 2/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
HTR4 Q13639 1/20 0.33
PPOX P50336 1/20 0.33
GAA P10253 1/20 0.33
STS P08842 1/20 0.32
MAOB P27338 1/20 0.32
GUSB P08236 2/20 0.32
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL6661553 0.82 OPRM1 (0.34) OPRM1KDM4ELMNAOPRD1OPRK1
SCHEMBL6661547 0.82 OPRM1 (0.34) OPRM1KDM4ELMNAOPRD1OPRK1
SCHEMBL5757575 0.81 OPRM1 (0.50) OPRM1KDM4ELMNAOPRD1OPRK1
SCHEMBL5755741 0.80 OPRM1 (0.42) OPRM1KDM4ELMNAOPRD1OPRK1
SCHEMBL5753749 0.75 OPRM1 (0.74) OPRM1OPRD1OPRK1KCNH2
Hydrochloric Acid SCHEMBL5757278 0.74 OPRM1 (0.72) OPRM1OPRD1OPRK1KCNH2
SCHEMBL6654085 0.71 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL6654080 0.71 OPRM1 (0.41) OPRM1OPRD1OPRK1
SCHEMBL6653871 0.68 SIGMAR1 (0.42) OPRM1OPRD1OPRK1KCNH2GAA
SCHEMBL6653869 0.68 SIGMAR1 (0.42) OPRM1OPRD1OPRK1KCNH2GAA

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 8 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 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
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885KDM4E 3058/4885LMNA 3931/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 OPRM1 1/4885KDM4E 3058/4885LMNA 3931/4885

“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.