SCHEMBL5409696

SCHEMBL5409696

N#Cc1cccc(C2(O)C3CCC2CN(Cc2ccccc2)C3)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.50
DRD3 P35462 6/20 0.50
CHRM3 P20309 1/20 0.46
OPRM1 P35372 1/20 0.45
ARRB1 P49407 1/20 0.45
FAAH O00519 1/20 0.44
ABCB1 P08183 1/20 0.44
FUCA1 P04066 2/20 0.43
CHRM4 P08173 1/20 0.43
CCR3 P51677 1/20 0.42
HSD11B1 P28845 1/20 0.42
P2RY14 Q15391 1/20 0.41

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
SCHEMBL10008510 0.83 FUCA1 (0.56) FUCA1P2RY14
SCHEMBL5406788 0.83 DRD3 (0.47) DRD2DRD3CHRM3OPRM1ARRB1
SCHEMBL5402545 0.83 OPRM1 (0.54) DRD2DRD3CHRM3OPRM1FUCA1
SCHEMBL5399533 0.81 FUCA1 (0.46) FUCA1P2RY14
SCHEMBL5394580 0.81 FUCA1 (0.46) DRD2CHRM3OPRM1FUCA1P2RY14
SCHEMBL5742361 0.81 BCHE (0.47) CHRM3FUCA1P2RY14
SCHEMBL5742358 0.81 FUCA1 (0.46) OPRM1FUCA1P2RY14
SCHEMBL21238092 0.79 OPRM1 (0.48) DRD2DRD3CHRM3OPRM1
SCHEMBL21220270 0.79 OPRM1 (0.48) DRD2DRD3CHRM3OPRM1
SCHEMBL21220273 0.79 OPRM1 (0.48) DRD2DRD3CHRM3OPRM1

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 4 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 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 DRD2 35/4885DRD3 24/4885CHRM3 277/4885

“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.