SCHEMBL4023178

SCHEMBL4023178

CN(C)c1ccc(CN2CCC3(c4cccc(NS(C)(=O)=O)c4)CCCC2C3)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.40
OPRK1 P41145 15/20 0.40
OPRD1 P41143 14/20 0.40
KCNH2 Q12809 3/20 0.34
SIGMAR1 Q99720 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL4025682 0.89 OPRM1 (0.45) OPRM1OPRK1OPRD1KCNH2SIGMAR1
SCHEMBL4020725 0.88 OPRM1 (0.43) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4016894 0.85 OPRM1 (0.41) OPRM1OPRK1OPRD1USP2CYP1A2
SCHEMBL4021761 0.84 OPRK1 (0.42) OPRM1OPRK1OPRD1
SCHEMBL4021779 0.83 KDM4E (0.42) OPRM1OPRK1OPRD1CYP2C19
SCHEMBL4020247 0.83 OPRK1 (0.42) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4021250 0.83 OPRM1 (0.48) OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL4021755 0.82 OPRM1 (0.41) OPRM1OPRK1OPRD1
SCHEMBL4019776 0.81 OPRM1 (0.46) OPRM1OPRK1OPRD1KCNH2
SCHEMBL4019185 0.80 OPRK1 (0.40) OPRM1OPRK1OPRD1

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 OPRM1 3/4885OPRK1 2/4885OPRD1 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.