SCHEMBL4019499

SCHEMBL4019499

CS(=O)(=O)Nc1cccc(C23CCCC(C2)N(Cc2cccc(OC(F)(F)F)c2)CC3)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.41
CXCR3 P49682 1/20 0.40
OPRM1 P35372 13/20 0.39
OPRK1 P41145 13/20 0.39
OPRD1 P41143 12/20 0.39
KCNA5 P22460 1/20 0.38
IDH1 O75874 1/20 0.38
NR3C1 P04150 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL4022526 0.88 OPRM1 (0.43) OPRM1OPRK1OPRD1
SCHEMBL4021250 0.87 OPRM1 (0.48) OPRM1OPRK1OPRD1
SCHEMBL4019150 0.85 OPRK1 (0.41) OPRM1OPRK1OPRD1
SCHEMBL4023073 0.84 OPRM1 (0.43) OPRM1OPRK1OPRD1
SCHEMBL4025612 0.84 CHRM3 (0.43) CHRM3CXCR3OPRM1OPRK1OPRD1
SCHEMBL4019865 0.82 OPRM1 (0.45) OPRM1OPRK1OPRD1
SCHEMBL4021766 0.82 OPRM1 (0.51) OPRM1OPRK1OPRD1
SCHEMBL4017778 0.82 OPRM1 (0.46) CHRM3OPRM1OPRK1OPRD1
SCHEMBL4022510 0.81 OPRM1 (0.41) OPRM1OPRK1OPRD1
SCHEMBL4018594 0.81 OPRK1 (0.41) 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 CHRM3 313/4885CXCR3 1185/4885OPRM1 3/4885

“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.