SCHEMBL4020064

SCHEMBL4020064

COCCS(=O)(=O)Nc1cccc(C23CCCC(C2)N(C(=O)OC(C)(C)C)CC3)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
TGFBR1 P36897 3/20 0.38
PTPN1 P18031 3/20 0.36
KIF18A Q8NI77 4/20 0.35
CCR3 P51677 1/20 0.35
STS P08842 1/20 0.34
KDM1A O60341 1/20 0.34
RXRA P19793 3/20 0.34
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
SIGMAR1 Q99720 2/20 0.34

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
SCHEMBL5723758 0.91 OPRK1 (0.42) OPRK1TGFBR1PTPN1KIF18AKDM1A
SCHEMBL4017796 0.87 OPRK1 (0.43) OPRK1TGFBR1PTPN1KDM1ARXRA
SCHEMBL4381622 0.74 OPRK1 (0.47) OPRK1
SCHEMBL4019776 0.68 OPRM1 (0.46) OPRK1
SCHEMBL4019150 0.67 OPRK1 (0.41) OPRK1SIGMAR1
SCHEMBL4023569 0.66 OPRM1 (0.45) OPRK1
SCHEMBL4019941 0.65 OPRM1 (0.55) OPRK1SIGMAR1
SCHEMBL4019499 0.65 CHRM3 (0.41) OPRK1
SCHEMBL29728634 0.65 ESR2 (0.56) PTPN1NR1H2
SCHEMBL16645224 0.65 ESR2 (0.56) PTPN1NR1H2

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
EP-1615893-B1 2-AZABICYCLO¬3.3.1 NONANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-11-18 EP disclosed
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
EP-1615893-A1 2-AZABICYCLO[3.3.1]NONANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2006-01-18 EP disclosed
WO-2004089909-A1 2-AZABICYCLO[3.3.1]NONANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-10-21 WO 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 2/4885TGFBR1 706/4885PTPN1 805/4885

“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.