SCHEMBL18528191

SCHEMBL18528191

CC[C@@H]1CN(C(=O)O)CCO1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 15/20 0.44
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL17893277 1.00 PDK1 (0.44) PDK1HTTTSHRKDM4EALDH1A1
SCHEMBL27603051 0.85 KDM4E (0.37) PDK1KDM4EALDH1A1
SCHEMBL8425994 0.85 PDK1 (0.48) PDK1HTTTSHR
SCHEMBL22167698 0.84 PDK1 (0.43) PDK1ALDH1A1L3MBTL1
SCHEMBL20671837 0.84 PDK1 (0.43) PDK1ALDH1A1L3MBTL1
SCHEMBL3029708 0.83 PDK1 (0.61) PDK1L3MBTL1
SCHEMBL2934637 0.83 PDK1 (0.61) PDK1L3MBTL1
SCHEMBL571075 0.83 PDK1 (0.61) PDK1L3MBTL1
SCHEMBL571192 0.82 PDK1 (0.40) PDK1HTTKDM4EALDH1A1
SCHEMBL23361524 0.81 PDK1 (0.42) PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922426-B Tetrahydrooxepin pyridine compound 安斯泰来制药株式会社 2021-03-26 CN disclosed
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-20170050973-A1 TETRAHYDROOXEPINOPYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2017-02-23 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-20170050973-A1 TETRAHYDROOXEPINOPYRIDINE COMPOUND CHRNA7, CHRNA5, P2RX7 PDK1 4566/4885HTT 669/4885TSHR 1673/4885

“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.