SCHEMBL5401191

SCHEMBL5401191

Nc1cccc(C2(O)C3CCC2CN(Cc2ccc(O)c4ccccc24)C3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ACHE P22303 2/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRK1 P41145 2/20 0.32
P2RY14 Q15391 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
TP53 P04637 2/20 0.32
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL5399536 0.87 TSHR (0.49) TSHRACHEMEN1KMT2AOPRM1
SCHEMBL5398728 0.85 CHEK1 (0.33) TSHRACHEOPRM1OPRK1P2RY14
SCHEMBL5401184 0.85 OPRM1 (0.41) OPRM1OPRK1
SCHEMBL5395216 0.83 OPRM1 (0.44) TSHRKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5398761 0.83 DRD3 (0.50) TSHRKDM4EMEN1NPC1KMT2A
SCHEMBL5394580 0.80 FUCA1 (0.46) OPRM1OPRK1P2RY14DRD2DRD4
SCHEMBL5402554 0.80 DRD2 (0.46) TSHRMEN1KMT2ASMN1; SMN2DRD2
SCHEMBL5403122 0.76 DRD2 (0.46) OPRM1OPRK1P2RY14DRD2DRD4
SCHEMBL5409581 0.76 CXCR3 (0.41) MEN1KMT2AOPRM1OPRK1P2RY14
SCHEMBL5417261 0.76 OPRL1 (0.44) ACHEKMT2AOPRM1OPRK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 347/4885ACHE 1455/4885KDM4E 1212/4885

“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.