SCHEMBL5726017

SCHEMBL5726017

COC(=O)C1(NN(C(C)=O)c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.44
GPR119 Q8TDV5 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TACR1 P25103 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
HSD11B1 P28845 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
STS P08842 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
SCHEMBL31620032 0.79 GPR119 (0.49) TSHRALOX15ATMGPR119KDM4E
SCHEMBL31620034 0.79 GPR119 (0.49) TSHRALOX15ATMGPR119KDM4E
SCHEMBL5739996 0.77 OPRM1 (0.51) TSHRMEN1KMT2AOPRD1OPRK1
SCHEMBL971790 0.77 TSHR (0.65) TSHRALOX15ATMGPR119KDM4E
SCHEMBL3489718 0.73 TSHR (0.45) TSHRALOX15ATMGPR119KDM4E
SCHEMBL23805132 0.73 OPRM1 (0.63) OPRD1OPRK1
SCHEMBL2797417 0.73 MEN1 (0.46) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL5726015 0.73 TSHR (0.46) TSHRALOX15ATMGPR119KDM4E
SCHEMBL31382411 0.73 TSHR (0.49) TSHRALOX15ATMGPR119HSD11B1
SCHEMBL25001164 0.72 TSHR (0.47) TSHRALOX15ATMGPR119KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 EP disclosed
US-20040053928-A1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-18 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-20040053928-A1 Quinoline derivatives as antibacterials AAAS, QDPR, QARS1 TSHR 4209/4885ALOX15 4676/4885ATM 1483/4885

“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.