SCHEMBL17682152

SCHEMBL17682152

CCCCOC1CC(C#N)(CO)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.31
DPP4 P27487 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL14671094 0.84 DPP4 (0.34) EPHX2TSHRDPP4
SCHEMBL12320298 0.77 TSHR (0.35) EPHX2TSHRGBA1
SCHEMBL17682153 0.76 PRKCA (0.31) TSHR
SCHEMBL31619633 0.76
SCHEMBL17682125 0.71 EPHX2 (0.36) EPHX2TSHRDPP4
SCHEMBL16985430 0.71 EPHX2 (0.35) EPHX2TSHRGBA1
SCHEMBL16711496 0.70 GBA1 (0.38) EPHX2TSHRGBA1
SCHEMBL16730883 0.67 ADRB2 (0.36) EPHX2GBA1
SCHEMBL7702496 0.67 EPHX2 (0.39) EPHX2TSHRGBA1
SCHEMBL2218799 0.67 GAA (0.35) EPHX2GBA1

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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 EP disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 WO disclosed
WO-2016054971-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF 南京明德新药研发股份有限公司 2016-04-14 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A EPHX2 341/4885TSHR 2556/4885DPP4 672/4885

“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.