SCHEMBL5403262

SCHEMBL5403262

Nc1cccc(C2(O)C3CCC2CN(Cc2cccc(Oc4ccccc4)c2)C3)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
CCR8 P51685 4/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
FAAH O00519 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPV6 Q9H1D0 1/20 0.42
MAOB P27338 1/20 0.42
MGLL Q99685 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM3 P20309 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
SCHEMBL5394580 0.89 FUCA1 (0.46) ALDH1A1OPRM1OPRK1CHRM2CHRM3
SCHEMBL5403259 0.86 OPRM1 (0.51) KDM4EALDH1A1CCR8OPRM1OPRK1
SCHEMBL5417261 0.84 OPRL1 (0.44) OPRM1OPRK1FAAH
SCHEMBL5403122 0.82 DRD2 (0.46) OPRM1OPRK1CHRM2CHRM3
SCHEMBL5402492 0.81 OPRM1 (0.45) ALDH1A1OPRM1OPRK1CHRM2CHRM3
SCHEMBL5409581 0.80 CXCR3 (0.41) OPRM1OPRK1GAA
SCHEMBL5403315 0.80 OPRM1 (0.55) OPRM1OPRK1MAOB
SCHEMBL5407157 0.78 OPRM1 (0.47) KDM4EALDH1A1TDP1HTTOPRM1
SCHEMBL5404546 0.78 HTT (0.54) KDM4EALDH1A1HPGDHTTOPRM1
SCHEMBL5403628 0.78 SIGMAR1 (0.52) OPRM1OPRK1

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-7241887-B2 3-azabicyclo[3.2.1]octane derivatives PFIZER INC (US) 2007-07-10 US claimed
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US 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 KDM4E 1212/4885ALDH1A1 587/4885TDP1 3231/4885

“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.