SCHEMBL4017393

SCHEMBL4017393

Cn1cc(CN2CCC3(c4cccc(C(N)=O)c4)CCCC2C3)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.44
OPRM1 P35372 14/20 0.44
OPRD1 P41143 14/20 0.44
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL4027400 0.88 OPRK1 (0.44) OPRK1OPRM1OPRD1HCRTR1HCRTR2
SCHEMBL4017913 0.86 OPRK1 (0.44) OPRK1OPRM1OPRD1HCRTR2
SCHEMBL4019097 0.84 OPRK1 (0.45) OPRK1OPRM1OPRD1
SCHEMBL4021755 0.83 OPRM1 (0.41) OPRK1OPRM1OPRD1
SCHEMBL4018996 0.83 OPRK1 (0.44) OPRK1OPRM1OPRD1
SCHEMBL4020257 0.83 CYP2C19 (0.46) OPRK1OPRM1OPRD1HCRTR2ALDH1A1
SCHEMBL4020069 0.82 OPRM1 (0.50) OPRK1OPRM1OPRD1
SCHEMBL4020247 0.82 OPRK1 (0.42) OPRK1OPRM1OPRD1HCRTR1HCRTR2
SCHEMBL4017402 0.82 OPRK1 (0.46) OPRK1OPRM1OPRD1
SCHEMBL4021613 0.82 OPRM1 (0.55) OPRK1OPRM1OPRD1

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-RE40838-E1 2-azabicyclo[3.3.1]nonane derivatives PFIZER INC. (US) 2009-07-07 US claimed
US-7056930-B2 for treatment of disease states, disorders and conditions mediated by opioid receptors; for example, irritable bowel syndrome, drug addiction, including alcohol addiction, depression, anxiety, schizophrenia, eating disorders PFIZER INC. (US) 2006-06-06 US claimed
US-20040204445-A1 2-Azabicyclo[3.3.1]nonane derivatives PFIZER INC. 2004-10-14 US claimed
US-RE40838-E1 2-azabicyclo[3.3.1]nonane derivatives PFIZER INC. (US) 2009-07-07 US disclosed
US-7056930-B2 for treatment of disease states, disorders and conditions mediated by opioid receptors; for example, irritable bowel syndrome, drug addiction, including alcohol addiction, depression, anxiety, schizophrenia, eating disorders PFIZER INC. (US) 2006-06-06 US disclosed
US-20040204445-A1 2-Azabicyclo[3.3.1]nonane derivatives PFIZER INC. 2004-10-14 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-20040204445-A1 2-Azabicyclo[3.3.1]nonane derivatives OPRD1, OPRK1, OPRM1 OPRK1 2/4885OPRM1 3/4885OPRD1 1/4885

“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.