SCHEMBL20959518

SCHEMBL20959518

COC1CCC(N)(CNC(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
KCNA3 P22001 2/20 0.33
MMP1 P03956 1/20 0.32
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
EPHX2 P34913 1/20 0.31
CYP2D6 P10635 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
SCHEMBL20980330 0.80 HCRTR2 (0.40)
SCHEMBL16057260 0.74 P2RX7 (0.38) CYP2D6
Oxalic Acid SCHEMBL15821260 0.74 P2RX7 (0.30) CYP2D6
SCHEMBL4529410 0.72 P2RX7 (0.40) CYP2D6
SCHEMBL19696482 0.71 GRM4 (0.47) DPP4CYP2D6
SCHEMBL13165530 0.71 GRM4 (0.47) DPP4CYP2D6
SCHEMBL20959583 0.70 DPP4 (0.49) DPP4SLC6A4SLC6A3
SCHEMBL20660355 0.69 KDM4E (0.37)
SCHEMBL14689536 0.69 EPHX2 (0.35) DPP4MMP1SLC6A4SLC6A3EPHX2
SCHEMBL11028668 0.69 EPHX2 (0.35) DPP4MMP1SLC6A4SLC6A3EPHX2

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
EP-3858835-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2021-08-04 EP disclosed
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 US disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 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 (3 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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD DPP4 3279/4885KCNA3 4850/4885MMP1 4626/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD DPP4 3279/4885KCNA3 4850/4885MMP1 4626/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA DPP4 1556/4885KCNA3 4727/4885MMP1 4106/4885

“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.