SCHEMBL9906608

SCHEMBL9906608

OC1CCN(CC2CCN(C3CCC4CCCCC4C3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.41
OPRM1 P35372 13/20 0.41
OPRK1 P41145 5/20 0.41
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37
ACHE P22303 1/20 0.37
OPRD1 P41143 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SLC18A3 Q16572 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2115388 0.82 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1SLC18A3
SCHEMBL2115765 0.80 OPRM1 (0.42) OPRL1OPRM1OPRK1OPRD1SLC18A3
SCHEMBL9906606 0.77 CHRM5 (0.60) OPRL1OPRM1OPRK1CHRM5ADRA2C
SCHEMBL9598465 0.73 CHRM5 (0.67) OPRL1OPRM1OPRK1CHRM5ADRA2C
SCHEMBL2119236 0.71 SLC18A3 (0.39) OPRL1OPRM1OPRK1SLC18A3
SCHEMBL9359371 0.71 OPRM1 (0.51) OPRL1OPRM1OPRK1OPRD1
SCHEMBL2115762 0.71 SLC18A3 (0.35) OPRL1OPRM1OPRK1SLC18A3
SCHEMBL9906605 0.71 CYP2A13 (0.41) CHRM5ADRA2CACHESMN1; SMN2KDM4E
SCHEMBL988572 0.71 CHRM5 (0.48) CHRM5ADRA2CACHESMN1; SMN2
SCHEMBL12856303 0.69 OPRL1 (0.50) OPRL1OPRM1OPRK1OPRD1

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
US-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed
US-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES SEQUELLA, INC. 2010-10-28 US disclosed
US-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES SEQUELLA, INC. 2010-10-28 US disclosed
US-7652039-B2 Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis SEQUELLA, INC. (US) 2010-01-26 US disclosed
US-7652039-B2 Such as 1-(2-((3-(4-chlorophenoxy)benzyl)amino)-3-phenyl-propyl)piperidin-4-ol for treatment of tuberculosis; solid phase synthesis SEQUELLA, INC. (US) 2010-01-26 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-20100273826-A1 METHODS OF USE AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF INFECTIOUS DISEASES C5, THPO, TERT OPRL1 3730/4885OPRM1 3353/4885OPRK1 3997/4885

“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.