SCHEMBL4017396

SCHEMBL4017396

CC(c1c[nH]c2ccccc12)N1CCC2(c3cccc(C(N)=O)c3)CCCC1C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
OPRK1 P41145 13/20 0.40
OPRM1 P35372 12/20 0.37
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
HSD11B1 P28845 1/20 0.35
OPRD1 P41143 6/20 0.35
KCNH2 Q12809 5/20 0.35

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
SCHEMBL5722464 1.00 HCRTR1 (0.41) HCRTR1HCRTR2OPRK1OPRM1MAPT
SCHEMBL4020249 0.82 HCRTR1 (0.38) HCRTR1HCRTR2OPRK1OPRM1OPRD1
SCHEMBL4017399 0.82 OPRK1 (0.43) OPRK1OPRM1OPRD1
SCHEMBL4020257 0.80 CYP2C19 (0.46) HCRTR2OPRK1OPRM1MAPTTP53
SCHEMBL4026955 0.76 OPRK1 (0.45) OPRK1OPRM1OPRD1
SCHEMBL5402547 0.74 OPRM1 (0.46) OPRK1OPRM1MAPTTP53OPRD1
SCHEMBL4016926 0.74 OPRK1 (0.47) OPRK1OPRM1OPRD1
SCHEMBL4024695 0.73 OPRK1 (0.43) OPRK1OPRM1OPRD1
SCHEMBL5393305 0.72 OPRM1 (0.61) OPRM1
SCHEMBL4026826 0.72 OPRM1 (0.43) OPRK1OPRM1OPRD1KCNH2

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 HCRTR1 41/4885HCRTR2 49/4885OPRK1 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.