SCHEMBL5399531

SCHEMBL5399531

NC(=O)c1cccc(C2(O)C3CCC2CN(Cc2cccc4ccccc24)C3)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
OPRM1 P35372 9/20 0.42
OPRK1 P41145 6/20 0.42
OPRD1 P41143 3/20 0.41
KCNH2 Q12809 1/20 0.41
ACHE P22303 1/20 0.41
FAAH O00519 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
F10 P00742 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP10 Q53GL7 1/20 0.39
OPRL1 P41146 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
SCHEMBL5401184 0.88 OPRM1 (0.41) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5395209 0.86 ARG1 (0.44) OPRM1OPRK1OPRD1KCNH2FAAH
SCHEMBL5399536 0.85 TSHR (0.49) TSHROPRM1OPRK1ACHEFAAH
SCHEMBL5398720 0.84 OPRM1 (0.42) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5402552 0.84 HDAC8 (0.44) TSHROPRM1OPRK1OPRD1KCNH2
SCHEMBL5398753 0.84 DRD2 (0.47) TSHROPRM1MEN1KMT2A
SCHEMBL5406464 0.84 OPRM1 (0.58) OPRM1OPRK1OPRD1KCNH2MEN1
SCHEMBL5417254 0.83 OPRM1 (0.46) OPRM1OPRK1OPRD1FAAH
SCHEMBL5403119 0.80 OPRM1 (0.52) OPRM1OPRK1OPRD1KCNH2
SCHEMBL5409573 0.80 OPRM1 (0.50) 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 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 TSHR 347/4885OPRM1 3/4885OPRK1 2/4885

“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.