SCHEMBL5402552

SCHEMBL5402552

Cn1cc(CN2CC3CCC(C2)C3(O)c2cccc(C(N)=O)c2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
OPRM1 P35372 9/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DOCK5 Q9H7D0 1/20 0.42
OPRK1 P41145 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRD1 P41143 3/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL5393299 0.88 OPRM1 (0.59) HDAC8HDAC6OPRM1ALDH1A1SMN1; SMN2
SCHEMBL5402554 0.87 DRD2 (0.46) HDAC8HDAC6DRD2DRD4DRD3
SCHEMBL5399531 0.84 TSHR (0.46) HDAC8HDAC6OPRM1OPRK1MEN1
SCHEMBL5401184 0.82 OPRM1 (0.41) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5398720 0.81 OPRM1 (0.42) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5395209 0.81 ARG1 (0.44) OPRM1ALDH1A1SMN1; SMN2OPRK1OPRD1
SCHEMBL5398753 0.81 DRD2 (0.47) DRD2DRD4DRD3OPRM1MEN1
SCHEMBL5406464 0.80 OPRM1 (0.58) OPRM1ALDH1A1OPRK1MEN1KMT2A
SCHEMBL5398747 0.78 OPRM1 (0.41) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5418712 0.77 OPRM1 (0.52) OPRM1OPRK1OPRD1KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241887-B2 3-azabicyclo[3.2.1]octane derivatives PFIZER INC (US) 2007-07-10 US claimed
EP-1615894-A2 3-AZABICYCLO 3.2.1 OCTANE DERIVATIVES Pfizer Products Inc. (US) 2006-01-18 EP claimed
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US claimed
WO-2004089908-A2 3-AZABICYCLO[3.2.1]OCTANE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-10-21 WO claimed
US-7241887-B2 3-azabicyclo[3.2.1]octane derivatives PFIZER INC (US) 2007-07-10 US disclosed
EP-1615894-A2 3-AZABICYCLO 3.2.1 OCTANE DERIVATIVES Pfizer Products Inc. (US) 2006-01-18 EP disclosed
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US disclosed
WO-2004089908-A2 3-AZABICYCLO[3.2.1]OCTANE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-10-21 WO 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-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives OPRD1, OPRK1, OPRM1 HDAC8 282/4885HDAC6 470/4885DRD2 35/4885

“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.