SCHEMBL5404536

SCHEMBL5404536

NC(=O)c1cccc(C2(O)C3CCC2CN(Cc2ccc4c(c2)Cc2ccccc2-4)C3)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
FAAH O00519 1/20 0.46
OPRM1 P35372 12/20 0.43
OPRK1 P41145 9/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRD1 P41143 4/20 0.43
KCNH2 Q12809 1/20 0.43
CXCR3 P49682 1/20 0.40
P2RY14 Q15391 1/20 0.40
CHEK1 O14757 1/20 0.39

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
SCHEMBL5407329 0.87 OPRM1 (0.56) HTTFAAHOPRM1OPRK1
SCHEMBL5404546 0.86 HTT (0.54) HTTFAAHOPRM1OPRK1NPC1
SCHEMBL5406464 0.85 OPRM1 (0.58) OPRM1OPRK1MAPK1OPRD1KCNH2
SCHEMBL5417254 0.84 OPRM1 (0.46) FAAHOPRM1OPRK1OPRD1
SCHEMBL5403119 0.83 OPRM1 (0.52) OPRM1OPRK1OPRD1KCNH2CXCR3
SCHEMBL5409573 0.83 OPRM1 (0.50) OPRM1OPRK1OPRD1KCNH2CXCR3
SCHEMBL5406251 0.80 CXCR3 (0.47) OPRM1OPRK1OPRD1CXCR3
SCHEMBL5403259 0.80 OPRM1 (0.51) FAAHOPRM1OPRK1SMN1; SMN2OPRD1
SCHEMBL5398073 0.78 OPRM1 (0.59) OPRM1OPRK1OPRD1KCNH2CXCR3
SCHEMBL5401173 0.78 OPRM1 (0.68) 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 HTT 2901/4885FAAH 531/4885OPRM1 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.