SCHEMBL18528201

SCHEMBL18528201

C=Cc1c(C(=O)OC)cc(N2C[C@@H](C)O[C@@H](C)C2)nc1CO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
AURKA O14965 1/20 0.39
ALDH1A1 P00352 7/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
USP30 Q70CQ3 1/20 0.34
PRKDC P78527 1/20 0.33
BTK Q06187 1/20 0.33
KCNH2 Q12809 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
SCHEMBL18539555 0.88 KDM4E (0.41) KDM4EAURKAALDH1A1KMT2AMEN1
SCHEMBL20365655 0.88 AKT1 (0.40)
SCHEMBL18528170 0.83 KDM4E (0.47) KDM4EAURKAALDH1A1KMT2AMEN1
SCHEMBL18528179 0.77 KDM4E (0.35) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL18551903 0.77 ALOX15 (0.35) KDM4EAURKAALDH1A1KMT2AMEN1
SCHEMBL18528208 0.75 AURKA (0.46) KDM4EAURKAALDH1A1KMT2AMEN1
SCHEMBL20365697 0.75 AURKA (0.46) KDM4EAURKAALDH1A1KMT2AMEN1
SCHEMBL18528189 0.74 AURKA (0.46) KDM4EAURKAALDH1A1KMT2AMEN1
SCHEMBL28910711 0.72 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL18539558 0.70 KDM4E (0.48) KDM4EAURKAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345909-B1 TETRAHYDROOXEPINOPYRIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2020-06-17 EP disclosed
EP-3345909-A1 TETRAHYDROOXEPINOPYRIDINE COMPOUND Astellas Pharma Inc. (JP) 2018-07-11 EP disclosed
US-9670219-B2 Tetrahydrooxepinopyridine compound ASTELLAS PHARMA INC. (JP) 2017-06-06 US disclosed
US-9670219-B2 Tetrahydrooxepinopyridine compound ASTELLAS PHARMA INC. (JP) 2017-06-06 US disclosed
US-9670219-B2 Tetrahydrooxepinopyridine compound ASTELLAS PHARMA INC. (JP) 2017-06-06 US disclosed
US-20170050973-A1 TETRAHYDROOXEPINOPYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2017-02-23 US disclosed
US-20170050973-A1 TETRAHYDROOXEPINOPYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2017-02-23 US disclosed
US-20170050973-A1 TETRAHYDROOXEPINOPYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2017-02-23 US disclosed
WO-2017030171-A1 TETRAHYDROOXEPINOPYRIDINE COMPOUND アステラス製薬株式会社 2017-02-23 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-20170050973-A1 TETRAHYDROOXEPINOPYRIDINE COMPOUND CHRNA7, CHRNA5, P2RX7 KDM4E 2924/4885AURKA 3801/4885ALDH1A1 3958/4885

“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.