SCHEMBL5397291

SCHEMBL5397291

COC1(c2cccc(NS(C)(=O)=O)c2)C2CCC1CN(C(C)c1c[nH]c3ccccc13)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.40
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 2/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
TACR1 P25103 1/20 0.35
BRD4 O60885 1/20 0.34
TNIK Q9UKE5 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL5396323 0.82 DRD2 (0.42) OPRM1ALDH1A1MAPK1KCNH2OPRD1
SCHEMBL5393305 0.81 OPRM1 (0.61) OPRM1ALDH1A1GLAMAPK1
SCHEMBL5404090 0.75 OPRM1 (0.49) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5399529 0.75 OPRM1 (0.47) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4020249 0.74 HCRTR1 (0.38) OPRM1KCNH2OPRD1OPRK1HTR6
SCHEMBL5414599 0.73 OPRM1 (0.46) OPRM1ALDH1A1KCNH2OPRD1OPRK1
SCHEMBL5401113 0.73 OPRM1 (0.43) OPRM1KCNH2OPRD1OPRK1TACR1
SCHEMBL5393317 0.73 OPRM1 (0.53) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5408885 0.72 OPRM1 (0.55) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5404114 0.72 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 4 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
US-20040259859-A1 3-Azabicyclo[3.2.1]octane derivatives PFIZER INC 2004-12-23 US 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 3/4885ALDH1A1 587/4885GLA 3874/4885

“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.