SCHEMBL800531

SCHEMBL800531

CCOC(=O)N1CCC(Nc2ccccc2)(C(C)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
APP P05067 4/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 2/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL11569029 0.91 MAPT (0.63) MAPTAPPTSHRPOLBABL1
SCHEMBL11568412 0.88 MAPT (0.56) MAPTAPPTSHRPOLBABL1
SCHEMBL5067988 0.88 MAPT (0.56) MAPTAPPTSHRPOLBABL1
SCHEMBL780425 0.87 MAPT (0.62) MAPTAPPTSHRPOLBABL1
SCHEMBL13422548 0.85 MAPT (0.53) MAPTAPPTSHRPOLBABL1
SCHEMBL13451568 0.84 MAPT (0.52) MAPTAPPTSHRPOLBABL1
SCHEMBL19690767 0.81 MAPT (0.48) MAPTTSHRKDM4E
SCHEMBL27750372 0.78 NAPRT (0.47) MAPTTSHRPOLBGAAKDM4E
SCHEMBL11566308 0.76 CA12 (0.47) KMT2AALDH1A1
SCHEMBL11047280 0.76 MAPT (0.48) MAPTPOLBABL1RIN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946433-B2 Process for the preparation of sufentanil base and related compounds MALLINCKRODT LLC (US) 2015-02-03 US disclosed
US-20120071659-A1 Process for the Preparation of Sufentanil Base and Related Compounds MALLINCKRODT LLC (US) 2012-03-22 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-20120071659-A1 Process for the Preparation of Sufentanil Base and Related Compounds SNRPD1, SNRPD2, SNRPA1 MAPT 3645/4885APP 4824/4885TSHR 3048/4885

“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.