SCHEMBL5397288

SCHEMBL5397288

COC1(c2cccc(NS(C)(=O)=O)c2)C2CCC1CN(Cc1cn(C)c3ccccc13)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.45
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KCNH2 Q12809 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EED O75530 1/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.38
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL5401113 0.85 OPRM1 (0.43) OPRM1KCNH2MEN1KMT2AOPRD1
SCHEMBL5404599 0.83 OPRM1 (0.43) OPRM1KCNH2OPRD1OPRK1SMN1; SMN2
SCHEMBL5396323 0.82 DRD2 (0.42) OPRM1KCNH2ALDH1A1MEN1KMT2A
SCHEMBL5410198 0.82 OPRM1 (0.43) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5393317 0.82 OPRM1 (0.53) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5393299 0.82 OPRM1 (0.59) OPRM1HDAC8HDAC6ALDH1A1MEN1
SCHEMBL5408896 0.82 OPRM1 (0.40) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5418704 0.80 OPRM1 (0.60) OPRM1KCNH2KMT2AOPRD1OPRK1
SCHEMBL5404090 0.79 OPRM1 (0.49) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5414612 0.79 OPRM1 (0.48) OPRM1KCNH2OPRD1OPRK1

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 OPRM1 3/4885HDAC8 282/4885HDAC6 470/4885

“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.